(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide

C12H24N2O2 — CID 57212388

IUPAC(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide
SMILESCC(C)[C@H](N)C(O)C(=O)NCC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-8(2)10(13)11(15)12(16)14-7-9-5-3-4-6-9/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t10-,11?/m0/s1
InChIKeyVBNXWIWKLMWLEH-VUWPPUDQSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds5

About (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide

(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide (PubChem CID 57212388) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide
PubChem CID57212388
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide
SMILESCC(C)[C@H](N)C(O)C(=O)NCC1CCCC1
InChIInChI=1S/C12H24N2O2/c1-8(2)10(13)11(15)12(16)14-7-9-5-3-4-6-9/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t10-,11?/m0/s1
InChIKeyVBNXWIWKLMWLEH-VUWPPUDQSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide?
The IUPAC name of (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide (CID 57212388) is (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide?
The canonical SMILES for (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide is CC(C)[C@H](N)C(O)C(=O)NCC1CCCC1.
What is the InChIKey of (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide?
The InChIKey is VBNXWIWKLMWLEH-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)10(13)11(15)12(16)14-7-9-5-3-4-6-9/h8-11,15H,3-7,13H2,1-2H3,(H,14,16)/t10-,11?/m0/s1.
What are the key properties of (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide?
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 57212388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).