(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide

C13H26N2O — CID 119338014

IUPAC(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
SMILESCC(NC(=O)[C@H](C)N)C(C)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-9(12-7-5-4-6-8-12)11(3)15-13(16)10(2)14/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9?,10-,11?/m0/s1
InChIKeySGBYLJXZYLJYEG-YVNMAJEFSA-N
MW226.36 g/mol
LogP2.05
Rot. Bonds4

About (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide

(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide (PubChem CID 119338014) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
PubChem CID119338014
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
SMILESCC(NC(=O)[C@H](C)N)C(C)C1CCCCC1
InChIInChI=1S/C13H26N2O/c1-9(12-7-5-4-6-8-12)11(3)15-13(16)10(2)14/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9?,10-,11?/m0/s1
InChIKeySGBYLJXZYLJYEG-YVNMAJEFSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide
CID 120501833
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
2-amino-N-(3-cyclohexylbutan-2-yl)pentanamide
CID 119338034
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119809042
[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid
CID 15351769
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide
CID 119809033
3-amino-N-(3-cyclohexylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119809032
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide (CID 119338014) is (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide is CC(NC(=O)[C@H](C)N)C(C)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide?
The InChIKey is SGBYLJXZYLJYEG-YVNMAJEFSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(12-7-5-4-6-8-12)11(3)15-13(16)10(2)14/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9?,10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide?
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide is sourced from PubChem (CID 119338014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).