(2S)-2-amino-N-(1-cyclohexylethyl)propanamide

C11H22N2O — CID 62405260

IUPAC(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
SMILESCC(NC(=O)[C@H](C)N)C1CCCCC1
InChIInChI=1S/C11H22N2O/c1-8(12)11(14)13-9(2)10-6-4-3-5-7-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,9?/m0/s1
InChIKeyGXHNRJCYUYRTHO-IENPIDJESA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds3

About (2S)-2-amino-N-(1-cyclohexylethyl)propanamide

(2S)-2-amino-N-(1-cyclohexylethyl)propanamide (PubChem CID 62405260) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-cyclohexylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
PubChem CID62405260
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
SMILESCC(NC(=O)[C@H](C)N)C1CCCCC1
InChIInChI=1S/C11H22N2O/c1-8(12)11(14)13-9(2)10-6-4-3-5-7-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,9?/m0/s1
InChIKeyGXHNRJCYUYRTHO-IENPIDJESA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390017
(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053
(2S)-2-amino-N-(3-cyclohexylbutan-2-yl)propanamide
CID 119338014
2-amino-N-[(1S)-1-cyclohexylethyl]-3,3-dimethylbutanamide
CID 103930317
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
2-bromo-N-(1-cyclohexylethyl)propanamide
CID 107905148
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273
[[[(2S)-2-aminopropanoyl]amino]-cyclohexylmethyl]phosphonic acid
CID 15351769
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-methylsulfanylbutanamide
CID 104908828

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-cyclohexylethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-cyclohexylethyl)propanamide (CID 62405260) is (2S)-2-amino-N-(1-cyclohexylethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-cyclohexylethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-cyclohexylethyl)propanamide is CC(NC(=O)[C@H](C)N)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(1-cyclohexylethyl)propanamide?
The InChIKey is GXHNRJCYUYRTHO-IENPIDJESA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(12)11(14)13-9(2)10-6-4-3-5-7-10/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-cyclohexylethyl)propanamide?
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 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-(1-cyclohexylethyl)propanamide is sourced from PubChem (CID 62405260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).