(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide

C13H26N2O — CID 103833324

IUPAC(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
SMILESCCCC1(CNC(=O)[C@@H](N)C(C)CC)CC1
InChIInChI=1S/C13H26N2O/c1-4-6-13(7-8-13)9-15-12(16)11(14)10(3)5-2/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyREGTUUFVJOAXON-DTIOYNMSSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds7

About (2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide

(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide (PubChem CID 103833324) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
PubChem CID103833324
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
SMILESCCCC1(CNC(=O)[C@@H](N)C(C)CC)CC1
InChIInChI=1S/C13H26N2O/c1-4-6-13(7-8-13)9-15-12(16)11(14)10(3)5-2/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyREGTUUFVJOAXON-DTIOYNMSSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 113293910
(2S)-2-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103833263
(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
CID 104874186
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
CID 103827771
(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
CID 104969427
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
CID 107163906
ethyl N-[(1-propylcyclopropyl)methyl]carbamate
CID 103762312
(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
CID 119821752
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide (CID 103833324) is (2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide is CCCC1(CNC(=O)[C@@H](N)C(C)CC)CC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide?
The InChIKey is REGTUUFVJOAXON-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-13(7-8-13)9-15-12(16)11(14)10(3)5-2/h10-11H,4-9,14H2,1-3H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide?
(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide is sourced from PubChem (CID 103833324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).