(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C11H20N2O — CID 22690442

IUPAC(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C11H20N2O/c1-9(12)11(14)13-8-7-10-5-3-2-4-6-10/h5,9H,2-4,6-8,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyGMDOLPUHSSVYPE-VIFPVBQESA-N
MW196.29 g/mol
LogP1.34
Rot. Bonds4

About (2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide

(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 22690442) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID22690442
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C11H20N2O/c1-9(12)11(14)13-8-7-10-5-3-2-4-6-10/h5,9H,2-4,6-8,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyGMDOLPUHSSVYPE-VIFPVBQESA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 64896000
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
methyl 2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoate
CID 3551359
(2S,3R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 107855964
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289768
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970398
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 16682053
(2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106175266

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 22690442) is (2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide is C[C@H](N)C(=O)NCCC1=CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is GMDOLPUHSSVYPE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(12)11(14)13-8-7-10-5-3-2-4-6-10/h5,9H,2-4,6-8,12H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 196.29 g/mol, XLogP of 1.34, 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-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 22690442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).