(2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid

C10H16N4O3 — CID 136715978

IUPAC(2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
SMILESCc1cc(=O)[nH]c(NCCC[C@H](N)C(=O)O)n1
InChIInChI=1S/C10H16N4O3/c1-6-5-8(15)14-10(13-6)12-4-2-3-7(11)9(16)17/h5,7H,2-4,11H2,1H3,(H,16,17)(H2,12,13,14,15)/t7-/m0/s1
InChIKeyRQWQNTQQCCFQOI-ZETCQYMHSA-N
MW240.26 g/mol
LogP-0.32
Rot. Bonds6

About (2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid

(2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid (PubChem CID 136715978) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
PubChem CID136715978
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
SMILESCc1cc(=O)[nH]c(NCCC[C@H](N)C(=O)O)n1
InChIInChI=1S/C10H16N4O3/c1-6-5-8(15)14-10(13-6)12-4-2-3-7(11)9(16)17/h5,7H,2-4,11H2,1H3,(H,16,17)(H2,12,13,14,15)/t7-/m0/s1
InChIKeyRQWQNTQQCCFQOI-ZETCQYMHSA-N
XLogP-0.32
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid (CID 136715978) is (2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid is Cc1cc(=O)[nH]c(NCCC[C@H](N)C(=O)O)n1.
What is the InChIKey of (2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is RQWQNTQQCCFQOI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6-5-8(15)14-10(13-6)12-4-2-3-7(11)9(16)17/h5,7H,2-4,11H2,1H3,(H,16,17)(H2,12,13,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
(2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 136715978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).