(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid

C11H15ClN2O3 — CID 30064551

IUPAC(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(Cl)c[nH]1)C(=O)O
InChIInChI=1S/C11H15ClN2O3/c1-6(2)3-9(11(16)17)14-10(15)8-4-7(12)5-13-8/h4-6,9,13H,3H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyXARUEOQYHVPLMU-SECBINFHSA-N
MW258.70 g/mol
LogP1.90
Rot. Bonds5

About (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 30064551) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID30064551
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(Cl)c[nH]1)C(=O)O
InChIInChI=1S/C11H15ClN2O3/c1-6(2)3-9(11(16)17)14-10(15)8-4-7(12)5-13-8/h4-6,9,13H,3H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyXARUEOQYHVPLMU-SECBINFHSA-N
XLogP1.90
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307372
(2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 28740856
(2R)-3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 94540993
4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 130921065
(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61143092
2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 43467839
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 43170154
(2S)-2-[[2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695275
N-(2-aminopropyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 63732311
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 104981075
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid (CID 30064551) is (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1cc(Cl)c[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is XARUEOQYHVPLMU-SECBINFHSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-6(2)3-9(11(16)17)14-10(15)8-4-7(12)5-13-8/h4-6,9,13H,3H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 258.70 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 30064551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).