2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid

C22H32N4O6 — CID 123206576

IUPAC2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid
SMILESC=C(C)c1[nH]cc(CC(NC(=O)CCC(N)C(=O)O)C(=O)OCC(=O)N(C)C)c1C=CC
InChIInChI=1S/C22H32N4O6/c1-6-7-15-14(11-24-20(15)13(2)3)10-17(22(31)32-12-19(28)26(4)5)25-18(27)9-8-16(23)21(29)30/h6-7,11,16-17,24H,2,8-10,12,23H2,1,3-5H3,(H,25,27)(H,29,30)
InChIKeyLWWVEKPXEJFHHU-UHFFFAOYSA-N
MW448.52 g/mol
LogP0.93
Rot. Bonds12

About 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid

2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 123206576) has the molecular formula C22H32N4O6 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid
PubChem CID123206576
Molecular FormulaC22H32N4O6
Molecular Weight448.52 g/mol
Exact Mass448.23
IUPAC Name2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid
SMILESC=C(C)c1[nH]cc(CC(NC(=O)CCC(N)C(=O)O)C(=O)OCC(=O)N(C)C)c1C=CC
InChIInChI=1S/C22H32N4O6/c1-6-7-15-14(11-24-20(15)13(2)3)10-17(22(31)32-12-19(28)26(4)5)25-18(27)9-8-16(23)21(29)30/h6-7,11,16-17,24H,2,8-10,12,23H2,1,3-5H3,(H,25,27)(H,29,30)
InChIKeyLWWVEKPXEJFHHU-UHFFFAOYSA-N
XLogP0.93
TPSA154.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid with MolForge

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Related Compounds

4-[[(2S)-1-amino-3-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 170255888
(2S)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
CID 3038501
lithium (2R)-2-amino-5-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
CID 25010567
2-amino-5-[[(1R)-1-carboxy-2-[(Z)-prop-1-enyl]sulfanylethyl]amino]-5-oxopentanoic acid
CID 70151345
2-amino-5-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-5-oxopentanoic acid
CID 87554672
(2S)-2-amino-5-[[(S)-carboxy-[(E)-prop-1-enyl]sulfanylmethyl]amino]-5-oxopentanoic acid
CID 102494757
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
(2S)-3-[4-[(E)-2-hydroxyprop-1-enyl]-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methylpropanoic acid
CID 142107049
(2S)-3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 145304917
2-[[(4R)-4-amino-5-(3-methylbutan-2-yloxy)-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 66550536
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
(2S)-2-[[(4S)-4,5-diamino-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 66755691

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid (CID 123206576) is 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid is C=C(C)c1[nH]cc(CC(NC(=O)CCC(N)C(=O)O)C(=O)OCC(=O)N(C)C)c1C=CC.
What is the InChIKey of 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is LWWVEKPXEJFHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O6/c1-6-7-15-14(11-24-20(15)13(2)3)10-17(22(31)32-12-19(28)26(4)5)25-18(27)9-8-16(23)21(29)30/h6-7,11,16-17,24H,2,8-10,12,23H2,1,3-5H3,(H,25,27)(H,29,30).
What are the key properties of 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid?
2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 448.52 g/mol, XLogP of 0.93, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[1-[2-(dimethylamino)-2-oxoethoxy]-1-oxo-3-(4-prop-1-enyl-5-prop-1-en-2-yl-1H-pyrrol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 123206576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).