(2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid

C11H18N4O2 — CID 129022004

IUPAC(2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid
SMILESCN(c1ncccn1)[C@@](C)(CCCN)C(=O)O
InChIInChI=1S/C11H18N4O2/c1-11(9(16)17,5-3-6-12)15(2)10-13-7-4-8-14-10/h4,7-8H,3,5-6,12H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyVGSMQXMVIWKGQC-NSHDSACASA-N
MW238.29 g/mol
LogP0.50
Rot. Bonds6

About (2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid

(2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid (PubChem CID 129022004) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid
PubChem CID129022004
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid
SMILESCN(c1ncccn1)[C@@](C)(CCCN)C(=O)O
InChIInChI=1S/C11H18N4O2/c1-11(9(16)17,5-3-6-12)15(2)10-13-7-4-8-14-10/h4,7-8H,3,5-6,12H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyVGSMQXMVIWKGQC-NSHDSACASA-N
XLogP0.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid (CID 129022004) is (2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid is CN(c1ncccn1)[C@@](C)(CCCN)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is VGSMQXMVIWKGQC-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(9(16)17,5-3-6-12)15(2)10-13-7-4-8-14-10/h4,7-8H,3,5-6,12H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid?
(2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 238.29 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-methyl-2-[methyl(pyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 129022004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).