(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine

C24H39N5O4 — CID 143479412

IUPAC(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine
SMILESC/C=C\N.C/C=C\Nc1ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.C=NC
InChIInChI=1S/C19H27N3O4.C3H7N.C2H5N/c1-3-10-20-15-8-6-14(7-9-15)13(2)21-18(25)16(23)17(24)19(26)22-11-4-5-12-22;1-2-3-4;1-3-2/h3,6-10,13,16-17,20,23-24H,4-5,11-12H2,1-2H3,(H,21,25);2-3H,4H2,1H3;1H2,2H3/b10-3-;3-2-;/t13-,16-,17-;;/m1../s1
InChIKeyZESIYIFUGZWHSN-DOANLZKWSA-N
MW461.61 g/mol
LogP1.95
Rot. Bonds7

About (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine

(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine (PubChem CID 143479412) has the molecular formula C24H39N5O4 and a molecular weight of 461.61 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine
PubChem CID143479412
Molecular FormulaC24H39N5O4
Molecular Weight461.61 g/mol
Exact Mass461.30
IUPAC Name(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine
SMILESC/C=C\N.C/C=C\Nc1ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.C=NC
InChIInChI=1S/C19H27N3O4.C3H7N.C2H5N/c1-3-10-20-15-8-6-14(7-9-15)13(2)21-18(25)16(23)17(24)19(26)22-11-4-5-12-22;1-2-3-4;1-3-2/h3,6-10,13,16-17,20,23-24H,4-5,11-12H2,1-2H3,(H,21,25);2-3H,4H2,1H3;1H2,2H3/b10-3-;3-2-;/t13-,16-,17-;;/m1../s1
InChIKeyZESIYIFUGZWHSN-DOANLZKWSA-N
XLogP1.95
TPSA140.28 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 51.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine with MolForge

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Related Compounds

N-benzyl-N-ethyl-2,3-dihydroxy-N'-[1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]butanediamide;S-ethenylthiohydroxylamine;propan-2-amine
CID 143154721
(2R,3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-2,3-dihydroxy-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutanamide
CID 23585600
N-[1-(4-bromophenyl)ethyl]-4-(2,7-diazaspiro[3.5]nonan-7-yl)-2,3-dihydroxy-4-oxobutanamide
CID 58923099
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-[1-[4-(4-hydroxyphenyl)phenyl]ethyl]-4-oxobutanamide
CID 23584992
(2R,3R)-N-[(1R)-1-(4-benzylphenyl)ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;ethane
CID 143479213
4-(1,3,4,4a,5,5a,9a,9b-octahydroindeno[1,2-c]pyridin-2-yl)-N-[1-(4-bromophenyl)ethyl]-2,3-dihydroxy-4-oxobutanamide
CID 71178623
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[1-[4-(3-pyridin-4-yl-2,3-dihydrothiophen-2-yl)phenyl]ethyl]butanamide
CID 70330156
N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
CID 75833905
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine?
The IUPAC name of (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine (CID 143479412) is (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine is C/C=C\N.C/C=C\Nc1ccc([C@@H](C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.C=NC.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine?
The InChIKey is ZESIYIFUGZWHSN-DOANLZKWSA-N. The full InChI is InChI=1S/C19H27N3O4.C3H7N.C2H5N/c1-3-10-20-15-8-6-14(7-9-15)13(2)21-18(25)16(23)17(24)19(26)22-11-4-5-12-22;1-2-3-4;1-3-2/h3,6-10,13,16-17,20,23-24H,4-5,11-12H2,1-2H3,(H,21,25);2-3H,4H2,1H3;1H2,2H3/b10-3-;3-2-;/t13-,16-,17-;;/m1../s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine?
(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine has a molecular weight of 461.61 g/mol, XLogP of 1.95, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[[(Z)-prop-1-enyl]amino]phenyl]ethyl]-4-pyrrolidin-1-ylbutanamide;N-methylmethanimine;(Z)-prop-1-en-1-amine is sourced from PubChem (CID 143479412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).