(2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid

C11H14Cl2N2O3 — CID 28740856

IUPAC(2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)O
InChIInChI=1S/C11H14Cl2N2O3/c1-5(2)3-8(11(17)18)15-10(16)7-4-6(12)9(13)14-7/h4-5,8,14H,3H2,1-2H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyZEFSTXXPGRRSGQ-MRVPVSSYSA-N
MW293.15 g/mol
LogP2.55
Rot. Bonds5

About (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 28740856) has the molecular formula C11H14Cl2N2O3 and a molecular weight of 293.15 g/mol. Its IUPAC name is (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID28740856
Molecular FormulaC11H14Cl2N2O3
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC Name(2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)O
InChIInChI=1S/C11H14Cl2N2O3/c1-5(2)3-8(11(17)18)15-10(16)7-4-6(12)9(13)14-7/h4-5,8,14H,3H2,1-2H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyZEFSTXXPGRRSGQ-MRVPVSSYSA-N
XLogP2.55
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid
CID 54926923
(2S)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 29033778
(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 30064551
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
(2S)-2-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832858
4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063917
2-[(6-bromo-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
CID 119188263
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 43170154
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid
CID 119188123
(2S)-2-[(2-chloro-4-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119361057
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid (CID 28740856) is (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is ZEFSTXXPGRRSGQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3/c1-5(2)3-8(11(17)18)15-10(16)7-4-6(12)9(13)14-7/h4-5,8,14H,3H2,1-2H3,(H,15,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 293.15 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 28740856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).