(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide

C15H30N2O2 — CID 100632207

IUPAC(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
SMILESCCCCO[C@@H]1C[C@@H](NC(=O)C[C@H](C)CN)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-5-6-7-19-13-9-12(15(13,3)4)17-14(18)8-11(2)10-16/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11-,12+,13+/m0/s1
InChIKeyZNKXRJRNDJTNPC-YNEHKIRRSA-N
MW270.42 g/mol
LogP2.07
Rot. Bonds8

About (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide

(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide (PubChem CID 100632207) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide.

Molecular Properties

Compound Name(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
PubChem CID100632207
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
SMILESCCCCO[C@@H]1C[C@@H](NC(=O)C[C@H](C)CN)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-5-6-7-19-13-9-12(15(13,3)4)17-14(18)8-11(2)10-16/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11-,12+,13+/m0/s1
InChIKeyZNKXRJRNDJTNPC-YNEHKIRRSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-amino-N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide
CID 100632174
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride
CID 120594260
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)pentanamide
CID 120563993
3-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide;hydrochloride
CID 120502255
(2S)-2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3,3-dimethylbutanamide
CID 119819267
1-(3-butoxy-2,2-dimethylcyclobutyl)-2-(2-methylpropyl)guanidine
CID 111823203
(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
CID 103922183
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methylpentanamide;hydrochloride
CID 119819292
3-[(3-butoxy-2,2-dimethylcyclobutyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122005126
2-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-2-(oxan-4-yl)acetamide
CID 120796320
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
1-(3-butoxy-2,2-dimethylcyclobutyl)-2,3-dimethylguanidine
CID 111757560

Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide?
The IUPAC name of (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide (CID 100632207) is (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide.
What is the SMILES notation for (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide?
The canonical SMILES for (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide is CCCCO[C@@H]1C[C@@H](NC(=O)C[C@H](C)CN)C1(C)C.
What is the InChIKey of (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide?
The InChIKey is ZNKXRJRNDJTNPC-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-6-7-19-13-9-12(15(13,3)4)17-14(18)8-11(2)10-16/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t11-,12+,13+/m0/s1.
What are the key properties of (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide?
(3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide has a molecular weight of 270.42 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-amino-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylbutanamide is sourced from PubChem (CID 100632207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).