(2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide

C12H26N2O2 — CID 57310713

IUPAC(2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](CO)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-8(2)5-10(7-15)14-12(16)11(13)6-9(3)4/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyOMPBTZSONIBURK-MNOVXSKESA-N
MW230.35 g/mol
LogP0.88
Rot. Bonds7

About (2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide

(2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide (PubChem CID 57310713) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide
PubChem CID57310713
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](CO)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-8(2)5-10(7-15)14-12(16)11(13)6-9(3)4/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyOMPBTZSONIBURK-MNOVXSKESA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide (CID 57310713) is (2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide is CC(C)C[C@H](CO)NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide?
The InChIKey is OMPBTZSONIBURK-MNOVXSKESA-N. The full InChI is InChI=1S/C12H26N2O2/c1-8(2)5-10(7-15)14-12(16)11(13)6-9(3)4/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t10-,11+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide?
(2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide has a molecular weight of 230.35 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 57310713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).