(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid

C14H16N4O3 — CID 104902353

IUPAC(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
SMILESCn1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C14H16N4O3/c1-18-8-7-12(17-18)16-14(21)15-11(13(19)20)9-10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H,19,20)(H2,15,16,17,21)/t11-/m1/s1
InChIKeyLCPHEWHLYSWJCW-LLVKDONJSA-N
MW288.31 g/mol
LogP1.24
Rot. Bonds5

About (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid

(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid (PubChem CID 104902353) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
PubChem CID104902353
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
SMILESCn1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C14H16N4O3/c1-18-8-7-12(17-18)16-14(21)15-11(13(19)20)9-10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H,19,20)(H2,15,16,17,21)/t11-/m1/s1
InChIKeyLCPHEWHLYSWJCW-LLVKDONJSA-N
XLogP1.24
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-2-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 63717738
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-2-phenylacetic acid
CID 61206380
2-[(1-methylpyrazol-4-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61199623
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 80540855
(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104873963
(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902316
(2S)-2-[(4-iodophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 90386865
(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid
CID 114251144
(2S)-2-[(3,4-dimethylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 943707
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104874325

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid (CID 104902353) is (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid is Cn1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)O)n1.
What is the InChIKey of (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid?
The InChIKey is LCPHEWHLYSWJCW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-18-8-7-12(17-18)16-14(21)15-11(13(19)20)9-10-5-3-2-4-6-10/h2-8,11H,9H2,1H3,(H,19,20)(H2,15,16,17,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid?
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid has a molecular weight of 288.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 104902353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).