(2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid

C16H16N2O3 — CID 61144073

IUPAC(2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cccn1C1CC1
InChIInChI=1S/C16H16N2O3/c19-15(13-7-4-10-18(13)12-8-9-12)17-14(16(20)21)11-5-2-1-3-6-11/h1-7,10,12,14H,8-9H2,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyPPNZIIUITYGPMO-CQSZACIVSA-N
MW284.31 g/mol
LogP2.38
Rot. Bonds5

About (2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 61144073) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID61144073
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cccn1C1CC1
InChIInChI=1S/C16H16N2O3/c19-15(13-7-4-10-18(13)12-8-9-12)17-14(16(20)21)11-5-2-1-3-6-11/h1-7,10,12,14H,8-9H2,(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyPPNZIIUITYGPMO-CQSZACIVSA-N
XLogP2.38
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid
CID 43639324
1-cyclopropyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrole-2-carboxamide
CID 107861229
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81076810
2-[(2-cyclopentylpyrazole-3-carbonyl)amino]-2-phenylacetic acid
CID 120518063
(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid
CID 107824874
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 110011756
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 62535726
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclopropyl-N-hex-5-yn-3-ylpyrrole-2-carboxamide
CID 115970025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid (CID 61144073) is (2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)c1cccn1C1CC1.
What is the InChIKey of (2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is PPNZIIUITYGPMO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(13-7-4-10-18(13)12-8-9-12)17-14(16(20)21)11-5-2-1-3-6-11/h1-7,10,12,14H,8-9H2,(H,17,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 284.31 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61144073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).