3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid

C13H17NO5 — CID 93306205

IUPAC3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
SMILESCOc1ccc(O[C@H](C)C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C13H17NO5/c1-9(13(17)14-8-7-12(15)16)19-11-5-3-10(18-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyJHCKUINEWCSLQJ-SECBINFHSA-N
MW267.28 g/mol
LogP1.05
Rot. Bonds7

About 3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid

3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid (PubChem CID 93306205) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
PubChem CID93306205
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
SMILESCOc1ccc(O[C@H](C)C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C13H17NO5/c1-9(13(17)14-8-7-12(15)16)19-11-5-3-10(18-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyJHCKUINEWCSLQJ-SECBINFHSA-N
XLogP1.05
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate
CID 46481594
3-[2-(4-methoxyphenoxy)propanoylamino]-2,2-dimethylpropanoic acid
CID 81368174
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449554
6-[2-(4-chlorophenoxy)propanoylamino]hexanoic acid
CID 43238400
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
CID 42115635
4-[2-(4-methoxyphenoxy)propanoylamino]-4-phenylbutanoic acid
CID 119201282

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid (CID 93306205) is 3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid is COc1ccc(O[C@H](C)C(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid?
The InChIKey is JHCKUINEWCSLQJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO5/c1-9(13(17)14-8-7-12(15)16)19-11-5-3-10(18-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)/t9-/m1/s1.
What are the key properties of 3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid?
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid is sourced from PubChem (CID 93306205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).