(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide

C11H22N2O — CID 130965044

IUPAC(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide
SMILESCC1CC(NC(=O)[C@@H](N)C(C)C)C1C
InChIInChI=1S/C11H22N2O/c1-6(2)10(12)11(14)13-9-5-7(3)8(9)4/h6-10H,5,12H2,1-4H3,(H,13,14)/t7?,8?,9?,10-/m0/s1
InChIKeyPUKAPDGIVILAEV-VVIYDGDNSA-N
MW198.31 g/mol
LogP1.13
Rot. Bonds3

About (2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide

(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide (PubChem CID 130965044) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide
PubChem CID130965044
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide
SMILESCC1CC(NC(=O)[C@@H](N)C(C)C)C1C
InChIInChI=1S/C11H22N2O/c1-6(2)10(12)11(14)13-9-5-7(3)8(9)4/h6-10H,5,12H2,1-4H3,(H,13,14)/t7?,8?,9?,10-/m0/s1
InChIKeyPUKAPDGIVILAEV-VVIYDGDNSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide
CID 64907207
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63999963
(2R)-2-amino-N-(2-methylcyclopropyl)propanamide
CID 62398561
(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide
CID 103796865
(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
CID 131001553
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
CID 58369423
1-(2,3-dimethylcyclobutyl)-3-propan-2-ylurea
CID 131113753
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
CID 119327587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide (CID 130965044) is (2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide is CC1CC(NC(=O)[C@@H](N)C(C)C)C1C.
What is the InChIKey of (2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide?
The InChIKey is PUKAPDGIVILAEV-VVIYDGDNSA-N. The full InChI is InChI=1S/C11H22N2O/c1-6(2)10(12)11(14)13-9-5-7(3)8(9)4/h6-10H,5,12H2,1-4H3,(H,13,14)/t7?,8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide?
(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide is sourced from PubChem (CID 130965044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).