(2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

C11H12ClN3O2 — CID 73013641

IUPAC(2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
SMILESCc1cc(Cl)nc2[nH]cc(C[C@@H](N)C(=O)O)c12
InChIInChI=1S/C11H12ClN3O2/c1-5-2-8(12)15-10-9(5)6(4-14-10)3-7(13)11(16)17/h2,4,7H,3,13H2,1H3,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyPPHXPZMIUIDJKV-SSDOTTSWSA-N
MW253.69 g/mol
LogP1.48
Rot. Bonds3

About (2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid

(2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid (PubChem CID 73013641) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is (2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
PubChem CID73013641
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name(2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
SMILESCc1cc(Cl)nc2[nH]cc(C[C@@H](N)C(=O)O)c12
InChIInChI=1S/C11H12ClN3O2/c1-5-2-8(12)15-10-9(5)6(4-14-10)3-7(13)11(16)17/h2,4,7H,3,13H2,1H3,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyPPHXPZMIUIDJKV-SSDOTTSWSA-N
XLogP1.48
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(4,6-dimethyl-1H-indol-3-yl)propanoic acid
CID 96598910
(2S)-2-amino-3-(6-chloro-4-hydroxy-1H-indol-3-yl)propanoic acid
CID 162744818
2-amino-3-(7-methoxy-4-methyl-1H-indol-3-yl)propanoic acid
CID 82383509
2-amino-3-(4-amino-1H-indol-3-yl)propanoic acid;ethane
CID 145142447
2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid;ethane
CID 145142461
2-amino-3-(5-methyl-4-nitro-1H-indol-3-yl)propanoic acid
CID 122473699
(2S)-2-amino-3-(6-chloro-4-nitro-1H-indol-3-yl)propanoic acid
CID 122473919
2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid
CID 170356584
2-amino-3-(4,5-dihydroxy-2-methylphenyl)propanoic acid
CID 21295204
2-amino-3-(5,6-difluoro-4-methoxy-7-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 178095903
2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 130041515
2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791820

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid (CID 73013641) is (2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid is Cc1cc(Cl)nc2[nH]cc(C[C@@H](N)C(=O)O)c12.
What is the InChIKey of (2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid?
The InChIKey is PPHXPZMIUIDJKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-5-2-8(12)15-10-9(5)6(4-14-10)3-7(13)11(16)17/h2,4,7H,3,13H2,1H3,(H,14,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid?
(2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid has a molecular weight of 253.69 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 73013641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).