methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate

C14H19NO4 — CID 170714633

IUPACmethyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCO
InChIInChI=1S/C14H19NO4/c1-19-14(18)12(15-13(17)8-5-9-16)10-11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyKSFCVLPPGUGEAV-GFCCVEGCSA-N
MW265.31 g/mol
LogP0.66
Rot. Bonds7

About methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate

methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate (PubChem CID 170714633) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
PubChem CID170714633
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCO
InChIInChI=1S/C14H19NO4/c1-19-14(18)12(15-13(17)8-5-9-16)10-11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyKSFCVLPPGUGEAV-GFCCVEGCSA-N
XLogP0.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-hydroxypentanoylamino)-3-phenylpropanoate
CID 79198729
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl 2-(octanoylamino)-3-phenylpropanoate
CID 531518
methyl (2R)-2-(4-hydroxybutanoylamino)-3-naphthalen-2-ylpropanoate
CID 170714861
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901
methyl (2S)-2-[3-[bis(2-hydroxyethyl)amino]propanoylamino]-3-phenylpropanoate
CID 102262378
methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
CID 170714052
methyl (2S)-2-[[4-(butylamino)-4-oxobutanoyl]amino]-3-phenylpropanoate
CID 7326220
methyl (2S)-2-(pent-4-ynoylamino)-3-phenylpropanoate
CID 101205649
methyl 2-(docosa-10,12-diynoylamino)-3-phenylpropanoate
CID 118648720
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate (CID 170714633) is methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCO.
What is the InChIKey of methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate?
The InChIKey is KSFCVLPPGUGEAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-14(18)12(15-13(17)8-5-9-16)10-11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H,15,17)/t12-/m1/s1.
What are the key properties of methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate?
methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate has a molecular weight of 265.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate is sourced from PubChem (CID 170714633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).