(2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid

C10H20N2O3 — CID 56634195

IUPAC(2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)C(C)(C)N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6(2)5-7(8(13)14)12-9(15)10(3,4)11/h6-7H,5,11H2,1-4H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKeyAMCFAIYPIFGCEB-ZETCQYMHSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds5

About (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid

(2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid (PubChem CID 56634195) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
PubChem CID56634195
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)C(C)(C)N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-6(2)5-7(8(13)14)12-9(15)10(3,4)11/h6-7H,5,11H2,1-4H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKeyAMCFAIYPIFGCEB-ZETCQYMHSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid (CID 56634195) is (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)C(C)(C)N)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid?
The InChIKey is AMCFAIYPIFGCEB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(2)5-7(8(13)14)12-9(15)10(3,4)11/h6-7H,5,11H2,1-4H3,(H,12,15)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid?
(2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 56634195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).