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

C9H14N4O4 — CID 92524837

IUPAC(2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
SMILESN[C@@H](CCCNc1nc(O)cc(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H14N4O4/c10-5(8(16)17)2-1-3-11-9-12-6(14)4-7(15)13-9/h4-5H,1-3,10H2,(H,16,17)(H3,11,12,13,14,15)/t5-/m0/s1
InChIKeyHDZZTGNTZFTGES-YFKPBYRVSA-N
MW242.23 g/mol
LogP-0.92
Rot. Bonds6

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

(2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid (PubChem CID 92524837) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
PubChem CID92524837
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name(2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
SMILESN[C@@H](CCCNc1nc(O)cc(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H14N4O4/c10-5(8(16)17)2-1-3-11-9-12-6(14)4-7(15)13-9/h4-5H,1-3,10H2,(H,16,17)(H3,11,12,13,14,15)/t5-/m0/s1
InChIKeyHDZZTGNTZFTGES-YFKPBYRVSA-N
XLogP-0.92
TPSA141.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid (CID 92524837) is (2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid is N[C@@H](CCCNc1nc(O)cc(=O)[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is HDZZTGNTZFTGES-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H14N4O4/c10-5(8(16)17)2-1-3-11-9-12-6(14)4-7(15)13-9/h4-5H,1-3,10H2,(H,16,17)(H3,11,12,13,14,15)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
(2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.92, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 92524837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).