(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid

C13H17NO4 — CID 10777126

IUPAC(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@H](C)OCc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO4/c1-9(13(16)17)14-12(15)10(2)18-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1
InChIKeyYOWITPBHWKLOCN-UWVGGRQHSA-N
MW251.28 g/mol
LogP1.18
Rot. Bonds6

About (2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid (PubChem CID 10777126) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
PubChem CID10777126
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@H](C)OCc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO4/c1-9(13(16)17)14-12(15)10(2)18-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1
InChIKeyYOWITPBHWKLOCN-UWVGGRQHSA-N
XLogP1.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid
CID 43353337
2-(2-phenylmethoxypropanoylamino)hexanoic acid
CID 43469799
4-amino-4-oxo-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43357173
N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide
CID 103850827
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
1-methyl-3-(2-phenylmethoxypropanoylamino)urea
CID 47383903
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 39927724
N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide
CID 47028889
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid (CID 10777126) is (2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid is C[C@H](NC(=O)[C@H](C)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid?
The InChIKey is YOWITPBHWKLOCN-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(13(16)17)14-12(15)10(2)18-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,14,15)(H,16,17)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid?
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid is sourced from PubChem (CID 10777126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).