2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid

C11H13ClN2O3 — CID 54996152

IUPAC2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
SMILESC[C@@H](N)C(=O)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-7(13)11(17)14(6-10(15)16)9-4-2-3-8(12)5-9/h2-5,7H,6,13H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyQVJHVVUTYQJFSQ-SSDOTTSWSA-N
MW256.69 g/mol
LogP1.10
Rot. Bonds4

About 2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid

2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid (PubChem CID 54996152) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
PubChem CID54996152
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
SMILESC[C@@H](N)C(=O)N(CC(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c1-7(13)11(17)14(6-10(15)16)9-4-2-3-8(12)5-9/h2-5,7H,6,13H2,1H3,(H,15,16)/t7-/m1/s1
InChIKeyQVJHVVUTYQJFSQ-SSDOTTSWSA-N
XLogP1.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-chloroanilino)acetic acid
CID 61161477
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
2-(3-chloro-N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202960
2-[3-chloro-N-(3-methylbutan-2-ylcarbamoyl)anilino]acetic acid
CID 61186137
2-[3-chloro-N-(3-methylpentan-2-ylcarbamoyl)anilino]acetic acid
CID 61465565
2-[3-chloro-N-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]anilino]acetic acid
CID 61465880
2-[3-chloro-N-(3,4,4-trimethylpentanoyl)anilino]acetic acid
CID 63832859
2-(N-[2-(aminomethyl)-2-ethylbutanoyl]-3-chloroanilino)acetic acid
CID 115432306
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-3-chloroanilino)acetic acid
CID 65269873
2-[3-chloro-N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65058859
2-(3-chloro-N-(2,2,2-trifluoroacetyl)anilino)acetic acid
CID 54897844
2-(3-chloro-N-(2,2,3,3-tetramethylcyclopropanecarbonyl)anilino)acetic acid
CID 66476459

Frequently Asked Questions

What is the IUPAC name of 2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid?
The IUPAC name of 2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid (CID 54996152) is 2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid.
What is the SMILES notation for 2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid?
The canonical SMILES for 2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid is C[C@@H](N)C(=O)N(CC(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid?
The InChIKey is QVJHVVUTYQJFSQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-7(13)11(17)14(6-10(15)16)9-4-2-3-8(12)5-9/h2-5,7H,6,13H2,1H3,(H,15,16)/t7-/m1/s1.
What are the key properties of 2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid?
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid has a molecular weight of 256.69 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid is sourced from PubChem (CID 54996152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).