(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid

C12H15ClN2O3 — CID 83193742

IUPAC(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)NCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-8(12(17)18)14-7-11(16)15-6-9-2-4-10(13)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyLXIFUAPOXRPYJB-MRVPVSSYSA-N
MW270.72 g/mol
LogP1.02
Rot. Bonds6

About (2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid

(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid (PubChem CID 83193742) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
PubChem CID83193742
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)NCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-8(12(17)18)14-7-11(16)15-6-9-2-4-10(13)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyLXIFUAPOXRPYJB-MRVPVSSYSA-N
XLogP1.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131540
2-[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 43467079
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 8545779
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 87013552
3-[(4-chlorophenyl)methylcarbamoylamino]butanoic acid
CID 61192554
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-3-phenylbutanamide
CID 110625359
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
N-[(4-chlorophenyl)methyl]-2-(propan-2-ylsulfamoylamino)acetamide
CID 110625391

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid (CID 83193742) is (2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid is C[C@@H](NCC(=O)NCc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is LXIFUAPOXRPYJB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(12(17)18)14-7-11(16)15-6-9-2-4-10(13)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,15,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 270.72 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 83193742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).