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

C12H24N2O2 — CID 23297922

IUPAC3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide
SMILESCC(C)C(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)
InChIKeyVBNXWIWKLMWLEH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds5

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

3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide (PubChem CID 23297922) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide
PubChem CID23297922
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide
SMILESCC(C)C(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)
InChIKeyVBNXWIWKLMWLEH-UHFFFAOYSA-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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Related Compounds

2-(3-Amino-2-hydroxy-5-methyl-hexanoylamino)-4-methyl-pentanoic acid
CID 51356263
3-Amino-2-hydroxy-5-methyl-hexanoic acid (3-methyl-butyl)-amide
CID 44360285
(2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 171509766
(2S)-2-[(3-amino-2-hydroxy-4-methylpentanoyl)amino]-3-methylbutanoic acid
CID 100981415
Lapstatin
CID 137520952
(2S,3R)-3-Amino-4-cyclohexyl-N-((S)-1,2-dimethyl-propyl)-2-hydroxy-butyramide
CID 44381857
3-cyclopentyl-N-[(2S)-1,3-dihydroxybutan-2-yl]propanamide
CID 44421759
(2S)-2-[[(3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-4-methylpentanoic acid
CID 90655731
(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-4-methylpentanoic acid
CID 90675072
N-(cyclohexylmethyl)-2-hydroxy-3-(2,2,2-trifluoroethylamino)butanamide
CID 134349445
(3R)-3-amino-4-cyclohexyl-N-cyclopentyl-2-hydroxybutanamide
CID 9878523
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-methylbutan-2-yl)butanamide
CID 9943362

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide?
The IUPAC name of 3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide (CID 23297922) is 3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for 3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide?
The canonical SMILES for 3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide is CC(C)C(N)C(O)C(=O)NCC1CCCC1.
What is the InChIKey of 3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide?
The InChIKey is VBNXWIWKLMWLEH-UHFFFAOYSA-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).
What are the key properties of 3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide?
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 3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 23297922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).