3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide

C14H28N2O2 — CID 54009293

IUPAC3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide
SMILESCC(C)CC(N)C(O)C(=O)NCC1(C)CCCC1
InChIInChI=1S/C14H28N2O2/c1-10(2)8-11(15)12(17)13(18)16-9-14(3)6-4-5-7-14/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyKRDNBVLQSYISCC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds6

About 3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide

3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide (PubChem CID 54009293) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide
PubChem CID54009293
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide
SMILESCC(C)CC(N)C(O)C(=O)NCC1(C)CCCC1
InChIInChI=1S/C14H28N2O2/c1-10(2)8-11(15)12(17)13(18)16-9-14(3)6-4-5-7-14/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyKRDNBVLQSYISCC-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
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,3R)-3-Amino-4-cyclohexyl-N-((S)-1,2-dimethyl-propyl)-2-hydroxy-butyramide
CID 44381857
(2R,3R)-2-hydroxy-3-(hydroxymethyl)-3-methyl-N-[3-oxo-3-(pentylamino)propyl]hexanamide
CID 54580512
(2R,3R)-2-hydroxy-3-(hydroxymethyl)-3,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]hexanamide
CID 54586386
(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
2-amino-N-(3,3-difluoro-2-hydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 105646285
2-amino-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
CID 114093533
N-(4-hydroxy-5-methylhexan-3-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126815904
3-amino-3-cyclopentyl-2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 162584905

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide?
The IUPAC name of 3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide (CID 54009293) is 3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide.
What is the SMILES notation for 3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide?
The canonical SMILES for 3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide is CC(C)CC(N)C(O)C(=O)NCC1(C)CCCC1.
What is the InChIKey of 3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide?
The InChIKey is KRDNBVLQSYISCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)8-11(15)12(17)13(18)16-9-14(3)6-4-5-7-14/h10-12,17H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide?
3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide is sourced from PubChem (CID 54009293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).