(2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid

C14H12Cl2N2O3 — CID 61143788

IUPAC(2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
SMILESCn1c(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O3/c1-18-10(7-9(15)12(18)16)13(19)17-11(14(20)21)8-5-3-2-4-6-8/h2-7,11H,1H3,(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeySWEBESQUXDLAGG-LLVKDONJSA-N
MW327.17 g/mol
LogP2.89
Rot. Bonds4

About (2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 61143788) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is (2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID61143788
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name(2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
SMILESCn1c(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O3/c1-18-10(7-9(15)12(18)16)13(19)17-11(14(20)21)8-5-3-2-4-6-8/h2-7,11H,1H3,(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeySWEBESQUXDLAGG-LLVKDONJSA-N
XLogP2.89
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 43171651
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60831652
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 43170154
(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 28741778
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-sulfanylbutanoic acid
CID 114212558
(2S,3R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 93309927
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 43356454
(2S)-2-[(4-chloro-3-methylbenzoyl)amino]-2-phenylacetic acid
CID 103804548
3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674269
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid (CID 61143788) is (2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid is Cn1c(C(=O)N[C@@H](C(=O)O)c2ccccc2)cc(Cl)c1Cl.
What is the InChIKey of (2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is SWEBESQUXDLAGG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-18-10(7-9(15)12(18)16)13(19)17-11(14(20)21)8-5-3-2-4-6-8/h2-7,11H,1H3,(H,17,19)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 327.17 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61143788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).