2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid

C18H18N2O3 — CID 86779610

IUPAC2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N(C(=O)c1ccncc1)C1CC1
InChIInChI=1S/C18H18N2O3/c21-17(14-8-10-19-11-9-14)20(15-6-7-15)16(18(22)23)12-13-4-2-1-3-5-13/h1-5,8-11,15-16H,6-7,12H2,(H,22,23)
InChIKeyRAXYAWCUJBERLM-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.38
Rot. Bonds6

About 2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid

2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 86779610) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID86779610
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N(C(=O)c1ccncc1)C1CC1
InChIInChI=1S/C18H18N2O3/c21-17(14-8-10-19-11-9-14)20(15-6-7-15)16(18(22)23)12-13-4-2-1-3-5-13/h1-5,8-11,15-16H,6-7,12H2,(H,22,23)
InChIKeyRAXYAWCUJBERLM-UHFFFAOYSA-N
XLogP2.38
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
CID 119203438
(2S)-2-[benzoyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 11316930
(2S)-2-[cyclopropyl(methyl)amino]-3-phenylpropanoic acid
CID 175818563
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
CID 160513351
CID 160513351
2-[amino(pyridine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 174613467
(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 86285465
(2S)-2-[benzyl(oxiran-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 164544715
(2S)-2-[bis(sulfanyl)amino]-3-phenylpropanoic acid
CID 88617748
sodium 2-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 20524802
(2S)-2-[[cyclopropyl(methylsulfonyl)amino]-ethylamino]-3-phenylpropanoic acid
CID 67703282

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid (CID 86779610) is 2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)N(C(=O)c1ccncc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is RAXYAWCUJBERLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(14-8-10-19-11-9-14)20(15-6-7-15)16(18(22)23)12-13-4-2-1-3-5-13/h1-5,8-11,15-16H,6-7,12H2,(H,22,23).
What are the key properties of 2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid?
2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 310.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 86779610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).