(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide

C14H28N2O — CID 119821752

IUPAC(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
SMILESCCCC1(CNC(=O)[C@@H](N)CC(C)C)CCC1
InChIInChI=1S/C14H28N2O/c1-4-6-14(7-5-8-14)10-16-13(17)12(15)9-11(2)3/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyCEOPGABWEBMXNK-LBPRGKRZSA-N
MW240.39 g/mol
LogP2.45
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide

(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide (PubChem CID 119821752) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
PubChem CID119821752
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
SMILESCCCC1(CNC(=O)[C@@H](N)CC(C)C)CCC1
InChIInChI=1S/C14H28N2O/c1-4-6-14(7-5-8-14)10-16-13(17)12(15)9-11(2)3/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyCEOPGABWEBMXNK-LBPRGKRZSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820408
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820348
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-methylpentanamide;hydrochloride
CID 119812150
2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentanamide
CID 103950711
(2S)-2-amino-N-[(1-benzylcyclobutyl)methyl]-4-methylpentanamide;hydrochloride
CID 119821689
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pentanamide
CID 119344547
2-amino-2-(oxan-4-yl)-N-[(1-propylcyclobutyl)methyl]acetamide;hydrochloride
CID 120796583
(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
CID 103833324
2-amino-N-[(1-ethylcyclopentyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120992658

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide (CID 119821752) is (2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide is CCCC1(CNC(=O)[C@@H](N)CC(C)C)CCC1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide?
The InChIKey is CEOPGABWEBMXNK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-14(7-5-8-14)10-16-13(17)12(15)9-11(2)3/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide is sourced from PubChem (CID 119821752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).