methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate

C19H29NO4 — CID 14348478

IUPACmethyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate
SMILESC=CCNC(C(C)COCc1ccccc1)C(C(=O)OC)C(C)O
InChIInChI=1S/C19H29NO4/c1-5-11-20-18(17(15(3)21)19(22)23-4)14(2)12-24-13-16-9-7-6-8-10-16/h5-10,14-15,17-18,20-21H,1,11-13H2,2-4H3
InChIKeySEIHMEAWZGSWBI-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.15
Rot. Bonds11

About methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate

methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate (PubChem CID 14348478) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate
PubChem CID14348478
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Namemethyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate
SMILESC=CCNC(C(C)COCc1ccccc1)C(C(=O)OC)C(C)O
InChIInChI=1S/C19H29NO4/c1-5-11-20-18(17(15(3)21)19(22)23-4)14(2)12-24-13-16-9-7-6-8-10-16/h5-10,14-15,17-18,20-21H,1,11-13H2,2-4H3
InChIKeySEIHMEAWZGSWBI-UHFFFAOYSA-N
XLogP2.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Boc-L-beta-Homoaspartic acid
CID 2761513
5-O-benzyl 1-O-ethyl 4-(aminomethyl)-2,2-difluoro-3-hydroxypentanedioate
CID 174396979
(2S,3R,4R)-2-[(1S)-1-hydroxyethyl]-5-methoxy-4-methyl-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 10665752
(2S,3S)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
CID 10728575
benzyl (2S,3R)-2-amino-3-hydroxy-4-methylpentanoate
CID 121225676
benzyl (2S,3R)-2-((tert-butoxycarbonyl)amino)-3-hydroxy-4-methylpentanoate
CID 121225678
z-t-butyl 3-(N-(benzyloxycarbonyl)allylamino)-2-ethylidene-4-methylpentanoate
CID 129843894
e-t-butyl 3-(N-(benzyloxycarbonyl)allylamino)-2-ethylidene-4-methylpentanoate
CID 129843912
(2R,3R)-2-(2-hydroxypropan-2-yl)-5-methoxy-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 135014885
(3-Hydroxy-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl)azanium chloride
CID 135053931
benzyl (2S,3S)-2-amino-3-hydroxy-4-methylpentanoate;hydrochloride
CID 166437645
ethyl (2S,3S)-2-amino-3-hydroxy-7-phenylmethoxyheptanoate;hydrochloride
CID 166438692

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate?
The IUPAC name of methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate (CID 14348478) is methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate.
What is the SMILES notation for methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate?
The canonical SMILES for methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate is C=CCNC(C(C)COCc1ccccc1)C(C(=O)OC)C(C)O.
What is the InChIKey of methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate?
The InChIKey is SEIHMEAWZGSWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-11-20-18(17(15(3)21)19(22)23-4)14(2)12-24-13-16-9-7-6-8-10-16/h5-10,14-15,17-18,20-21H,1,11-13H2,2-4H3.
What are the key properties of methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate?
methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate has a molecular weight of 335.44 g/mol, XLogP of 2.15, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-hydroxyethyl)-4-methyl-5-phenylmethoxy-3-(prop-2-enylamino)pentanoate is sourced from PubChem (CID 14348478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).