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

C9H15N5O3 — CID 136716128

IUPAC(2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
SMILESNc1cc(=O)[nH]c(NCCC[C@H](N)C(=O)O)n1
InChIInChI=1S/C9H15N5O3/c10-5(8(16)17)2-1-3-12-9-13-6(11)4-7(15)14-9/h4-5H,1-3,10H2,(H,16,17)(H4,11,12,13,14,15)/t5-/m0/s1
InChIKeyYMJJDLGWAUEELP-YFKPBYRVSA-N
MW241.25 g/mol
LogP-1.04
Rot. Bonds6

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

(2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid (PubChem CID 136716128) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
PubChem CID136716128
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name(2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid
SMILESNc1cc(=O)[nH]c(NCCC[C@H](N)C(=O)O)n1
InChIInChI=1S/C9H15N5O3/c10-5(8(16)17)2-1-3-12-9-13-6(11)4-7(15)14-9/h4-5H,1-3,10H2,(H,16,17)(H4,11,12,13,14,15)/t5-/m0/s1
InChIKeyYMJJDLGWAUEELP-YFKPBYRVSA-N
XLogP-1.04
TPSA147.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.04
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-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid (CID 136716128) is (2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid is Nc1cc(=O)[nH]c(NCCC[C@H](N)C(=O)O)n1.
What is the InChIKey of (2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is YMJJDLGWAUEELP-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H15N5O3/c10-5(8(16)17)2-1-3-12-9-13-6(11)4-7(15)14-9/h4-5H,1-3,10H2,(H,16,17)(H4,11,12,13,14,15)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid?
(2S)-2-amino-5-[(4-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of -1.04, 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-amino-6-oxo-1H-pyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 136716128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).