(3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid

C14H13N3O5 — CID 99933375

IUPAC(3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C14H13N3O5/c18-11(19)6-10(8-4-2-1-3-5-8)16-12(20)9-7-15-14(22)17-13(9)21/h1-5,7,10H,6H2,(H,16,20)(H,18,19)(H2,15,17,21,22)/t10-/m1/s1
InChIKeyQYEKMOVVKHPUTO-SNVBAGLBSA-N
MW303.27 g/mol
LogP0.01
Rot. Bonds5

About (3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid

(3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 99933375) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is (3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID99933375
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name(3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C14H13N3O5/c18-11(19)6-10(8-4-2-1-3-5-8)16-12(20)9-7-15-14(22)17-13(9)21/h1-5,7,10H,6H2,(H,16,20)(H,18,19)(H2,15,17,21,22)/t10-/m1/s1
InChIKeyQYEKMOVVKHPUTO-SNVBAGLBSA-N
XLogP0.01
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
5-[[(1S)-2-carboxy-1-phenylethyl]carbamoyl]-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 124751395
5-[(2-carboxy-1-phenylethyl)carbamoyl]-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 91832667
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 61032689
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
CID 61174306
N-[1-(4-bromophenyl)ethyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60638460
3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65492254
3-[(2-methylsulfonylbenzoyl)amino]-3-phenylpropanoic acid
CID 45461472
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
3-[[2-(4-chlorobenzoyl)benzoyl]amino]-3-phenylpropanoic acid
CID 23909275

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid (CID 99933375) is (3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid is O=C(O)C[C@@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of (3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is QYEKMOVVKHPUTO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13N3O5/c18-11(19)6-10(8-4-2-1-3-5-8)16-12(20)9-7-15-14(22)17-13(9)21/h1-5,7,10H,6H2,(H,16,20)(H,18,19)(H2,15,17,21,22)/t10-/m1/s1.
What are the key properties of (3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid?
(3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 303.27 g/mol, XLogP of 0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 99933375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).