(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid

C16H17N3O3 — CID 146096385

IUPAC(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid
SMILESO=C(Nc1ccncc1)N[C@H](CCc1ccccc1)C(=O)O
InChIInChI=1S/C16H17N3O3/c20-15(21)14(7-6-12-4-2-1-3-5-12)19-16(22)18-13-8-10-17-11-9-13/h1-5,8-11,14H,6-7H2,(H,20,21)(H2,17,18,19,22)/t14-/m1/s1
InChIKeyJNPOPQICUHYTMC-CQSZACIVSA-N
MW299.33 g/mol
LogP2.29
Rot. Bonds6

About (2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid

(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid (PubChem CID 146096385) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid
PubChem CID146096385
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid
SMILESO=C(Nc1ccncc1)N[C@H](CCc1ccccc1)C(=O)O
InChIInChI=1S/C16H17N3O3/c20-15(21)14(7-6-12-4-2-1-3-5-12)19-16(22)18-13-8-10-17-11-9-13/h1-5,8-11,14H,6-7H2,(H,20,21)(H2,17,18,19,22)/t14-/m1/s1
InChIKeyJNPOPQICUHYTMC-CQSZACIVSA-N
XLogP2.29
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid
CID 70278068
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94798428
2-acetamido-4-pyridin-4-ylbutanoic acid
CID 18975889
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
4-phenyl-2-(thiatriazol-5-ylcarbamoylamino)butanoic acid
CID 114920770
3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide
CID 85095637
(2R)-2-[[(2S)-1-[[(2S)-4-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid
CID 10048889
2-[(3,3-difluoro-2-phenylpropyl)carbamoylamino]-4-pyridin-4-ylbutanoic acid
CID 166274408
(2S)-2-(pentan-3-ylcarbamoylamino)-4-phenylbutanoic acid
CID 104983577
(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid
CID 104983243
3-(methylamino)-2-(phenylcarbamoylamino)propanoic acid
CID 44607224

Frequently Asked Questions

What is the IUPAC name of (2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid (CID 146096385) is (2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid is O=C(Nc1ccncc1)N[C@H](CCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid?
The InChIKey is JNPOPQICUHYTMC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(21)14(7-6-12-4-2-1-3-5-12)19-16(22)18-13-8-10-17-11-9-13/h1-5,8-11,14H,6-7H2,(H,20,21)(H2,17,18,19,22)/t14-/m1/s1.
What are the key properties of (2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid?
(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid has a molecular weight of 299.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 146096385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).