2-(cyclohex-3-en-1-ylmethylamino)propanoic acid

C10H17NO2 — CID 61499571

IUPAC2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
SMILESCC(NCC1CC=CCC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(10(12)13)11-7-9-5-3-2-4-6-9/h2-3,8-9,11H,4-7H2,1H3,(H,12,13)
InChIKeyDOGIGXYWCDRZJF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.41
Rot. Bonds4

About 2-(cyclohex-3-en-1-ylmethylamino)propanoic acid

2-(cyclohex-3-en-1-ylmethylamino)propanoic acid (PubChem CID 61499571) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
PubChem CID61499571
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)propanoic acid
SMILESCC(NCC1CC=CCC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(10(12)13)11-7-9-5-3-2-4-6-9/h2-3,8-9,11H,4-7H2,1H3,(H,12,13)
InChIKeyDOGIGXYWCDRZJF-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.41
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

(2R)-2-(cyclohex-3-en-1-ylmethylamino)-N-methylpropanamide
CID 103838457
2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid
CID 83041207
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115587189
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
(4R)-4-[[(1R)-cyclohex-3-en-1-yl]methylamino]pentan-1-ol
CID 97051708
(2R)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 103924278
(2S)-2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
CID 104980641
methyl 2-(cyclohex-3-en-1-ylmethylamino)-4-methylpentanoate
CID 43688891
2-(cyclohex-3-en-1-ylmethylamino)-N,4-dimethylpentanamide
CID 43750476
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
1-cyclobutyl-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 115713345

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)propanoic acid?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)propanoic acid (CID 61499571) is 2-(cyclohex-3-en-1-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)propanoic acid?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)propanoic acid is CC(NCC1CC=CCC1)C(=O)O.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)propanoic acid?
The InChIKey is DOGIGXYWCDRZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(10(12)13)11-7-9-5-3-2-4-6-9/h2-3,8-9,11H,4-7H2,1H3,(H,12,13).
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)propanoic acid?
2-(cyclohex-3-en-1-ylmethylamino)propanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)propanoic acid is sourced from PubChem (CID 61499571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).