(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid

C12H14ClNO4 — CID 54990962

IUPAC(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
SMILESCC(Oc1ccccc1Cl)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-7(12(16)17)14-11(15)8(2)18-10-6-4-3-5-9(10)13/h3-8H,1-2H3,(H,14,15)(H,16,17)/t7-,8?/m1/s1
InChIKeyOAEWUXPUGFMGLO-GVHYBUMESA-N
MW271.70 g/mol
LogP1.70
Rot. Bonds5

About (2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid

(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid (PubChem CID 54990962) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is (2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
PubChem CID54990962
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
SMILESCC(Oc1ccccc1Cl)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-7(12(16)17)14-11(15)8(2)18-10-6-4-3-5-9(10)13/h3-8H,1-2H3,(H,14,15)(H,16,17)/t7-,8?/m1/s1
InChIKeyOAEWUXPUGFMGLO-GVHYBUMESA-N
XLogP1.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
(2S,3S)-2-[2-(2-chlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61137417
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
CID 119586798
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid
CID 43469679
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
2-[(2-chlorophenoxy)carbonylamino]propanoic acid
CID 83825067
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid (CID 54990962) is (2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid is CC(Oc1ccccc1Cl)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid?
The InChIKey is OAEWUXPUGFMGLO-GVHYBUMESA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-7(12(16)17)14-11(15)8(2)18-10-6-4-3-5-9(10)13/h3-8H,1-2H3,(H,14,15)(H,16,17)/t7-,8?/m1/s1.
What are the key properties of (2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid?
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid has a molecular weight of 271.70 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid is sourced from PubChem (CID 54990962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).