2-amino-3-(2-chloro-6-methylanilino)propanoic acid

C10H13ClN2O2 — CID 103256039

IUPAC2-amino-3-(2-chloro-6-methylanilino)propanoic acid
SMILESCc1cccc(Cl)c1NCC(N)C(=O)O
InChIInChI=1S/C10H13ClN2O2/c1-6-3-2-4-7(11)9(6)13-5-8(12)10(14)15/h2-4,8,13H,5,12H2,1H3,(H,14,15)
InChIKeySOZZHAHTONYAKE-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.47
Rot. Bonds4

About 2-amino-3-(2-chloro-6-methylanilino)propanoic acid

2-amino-3-(2-chloro-6-methylanilino)propanoic acid (PubChem CID 103256039) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-6-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-chloro-6-methylanilino)propanoic acid
PubChem CID103256039
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-amino-3-(2-chloro-6-methylanilino)propanoic acid
SMILESCc1cccc(Cl)c1NCC(N)C(=O)O
InChIInChI=1S/C10H13ClN2O2/c1-6-3-2-4-7(11)9(6)13-5-8(12)10(14)15/h2-4,8,13H,5,12H2,1H3,(H,14,15)
InChIKeySOZZHAHTONYAKE-UHFFFAOYSA-N
XLogP1.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,6-dichloroanilino)propanamide
CID 103252602
2-chloro-N-(2,2-difluoroethyl)-6-methylaniline
CID 66251946
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
4-amino-2-[(2-chloro-6-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 66252939
(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757028
2-amino-3-(3-chloroanilino)propanoic acid
CID 103234190
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chloro-6-methylanilino)propanoic acid?
The IUPAC name of 2-amino-3-(2-chloro-6-methylanilino)propanoic acid (CID 103256039) is 2-amino-3-(2-chloro-6-methylanilino)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-chloro-6-methylanilino)propanoic acid?
The canonical SMILES for 2-amino-3-(2-chloro-6-methylanilino)propanoic acid is Cc1cccc(Cl)c1NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-chloro-6-methylanilino)propanoic acid?
The InChIKey is SOZZHAHTONYAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6-3-2-4-7(11)9(6)13-5-8(12)10(14)15/h2-4,8,13H,5,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(2-chloro-6-methylanilino)propanoic acid?
2-amino-3-(2-chloro-6-methylanilino)propanoic acid has a molecular weight of 228.68 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloro-6-methylanilino)propanoic acid is sourced from PubChem (CID 103256039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).