(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide

C12H24N2O — CID 103950949

IUPAC(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)C1CCC1
InChIInChI=1S/C12H24N2O/c1-4-8(2)11(13)12(15)14-9(3)10-6-5-7-10/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t8-,9?,11-/m0/s1
InChIKeyULHLVUSYWNERMO-QCZWPSDZSA-N
MW212.34 g/mol
LogP1.66
Rot. Bonds5

About (2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide

(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide (PubChem CID 103950949) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide
PubChem CID103950949
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)C1CCC1
InChIInChI=1S/C12H24N2O/c1-4-8(2)11(13)12(15)14-9(3)10-6-5-7-10/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t8-,9?,11-/m0/s1
InChIKeyULHLVUSYWNERMO-QCZWPSDZSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
(2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390017
(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053
(2S,3S)-2-amino-3-methyl-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 61155055
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
2-amino-N-(2-cyclopropylpropyl)-3-methylpentanamide
CID 115738557
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
ethyl (2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-cyclopentylpropanoate
CID 157337378
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
2-(aminomethyl)-N-(1-cyclohexylethyl)butanamide
CID 62405592

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide (CID 103950949) is (2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NC(C)C1CCC1.
What is the InChIKey of (2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide?
The InChIKey is ULHLVUSYWNERMO-QCZWPSDZSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-8(2)11(13)12(15)14-9(3)10-6-5-7-10/h8-11H,4-7,13H2,1-3H3,(H,14,15)/t8-,9?,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide has a molecular weight of 212.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide is sourced from PubChem (CID 103950949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).