(2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid

C11H16N4O3 — CID 114111844

IUPAC(2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NCc1ccncn1)C(=O)O
InChIInChI=1S/C11H16N4O3/c1-2-3-9(10(16)17)15-11(18)13-6-8-4-5-12-7-14-8/h4-5,7,9H,2-3,6H2,1H3,(H,16,17)(H2,13,15,18)/t9-/m1/s1
InChIKeyNDUMUHMHQXCHTR-SECBINFHSA-N
MW252.27 g/mol
LogP0.53
Rot. Bonds6

About (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid

(2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 114111844) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid
PubChem CID114111844
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NCc1ccncn1)C(=O)O
InChIInChI=1S/C11H16N4O3/c1-2-3-9(10(16)17)15-11(18)13-6-8-4-5-12-7-14-8/h4-5,7,9H,2-3,6H2,1H3,(H,16,17)(H2,13,15,18)/t9-/m1/s1
InChIKeyNDUMUHMHQXCHTR-SECBINFHSA-N
XLogP0.53
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-methylsulfanyl-2-(pyrimidin-4-ylmethylcarbamoylamino)butanoic acid
CID 114111841
2-[(5-bromo-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 113454090
2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183979
(2S)-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 94913044
(2S)-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 95395819
(2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid
CID 107827257
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]pentanoic acid
CID 18071951
2-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]pentanoic acid
CID 106374706
(2S)-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107566965
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 107566922

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid (CID 114111844) is (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid is CCC[C@@H](NC(=O)NCc1ccncn1)C(=O)O.
What is the InChIKey of (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is NDUMUHMHQXCHTR-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-3-9(10(16)17)15-11(18)13-6-8-4-5-12-7-14-8/h4-5,7,9H,2-3,6H2,1H3,(H,16,17)(H2,13,15,18)/t9-/m1/s1.
What are the key properties of (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid?
(2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 114111844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).