(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid

C17H20N2O3 — CID 119363334

IUPAC(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1c[nH]cc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H20N2O3/c1-11(2)8-15(17(21)22)19-16(20)14-10-18-9-13(14)12-6-4-3-5-7-12/h3-7,9-11,15,18H,8H2,1-2H3,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyDWCDHDYRIKHREL-OAHLLOKOSA-N
MW300.36 g/mol
LogP2.91
Rot. Bonds6

About (2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid

(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid (PubChem CID 119363334) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
PubChem CID119363334
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1c[nH]cc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H20N2O3/c1-11(2)8-15(17(21)22)19-16(20)14-10-18-9-13(14)12-6-4-3-5-7-12/h3-7,9-11,15,18H,8H2,1-2H3,(H,19,20)(H,21,22)/t15-/m1/s1
InChIKeyDWCDHDYRIKHREL-OAHLLOKOSA-N
XLogP2.91
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]hexanoic acid
CID 120615508
(2R)-2-[[4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363106
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
CID 41119776
4-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]pentanoic acid
CID 119188578
(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 167810272
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
(2S)-4-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119362167
(2R)-2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119364201

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid (CID 119363334) is (2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1c[nH]cc1-c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid?
The InChIKey is DWCDHDYRIKHREL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)8-15(17(21)22)19-16(20)14-10-18-9-13(14)12-6-4-3-5-7-12/h3-7,9-11,15,18H,8H2,1-2H3,(H,19,20)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119363334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).