3-[(3-cyclopropylcyclohexyl)amino]propanoic acid

C12H21NO2 — CID 64593896

IUPAC3-[(3-cyclopropylcyclohexyl)amino]propanoic acid
SMILESO=C(O)CCNC1CCCC(C2CC2)C1
InChIInChI=1S/C12H21NO2/c14-12(15)6-7-13-11-3-1-2-10(8-11)9-4-5-9/h9-11,13H,1-8H2,(H,14,15)
InChIKeyVKVDTORKQNQIFW-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.02
Rot. Bonds5

About 3-[(3-cyclopropylcyclohexyl)amino]propanoic acid

3-[(3-cyclopropylcyclohexyl)amino]propanoic acid (PubChem CID 64593896) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[(3-cyclopropylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-cyclopropylcyclohexyl)amino]propanoic acid
PubChem CID64593896
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[(3-cyclopropylcyclohexyl)amino]propanoic acid
SMILESO=C(O)CCNC1CCCC(C2CC2)C1
InChIInChI=1S/C12H21NO2/c14-12(15)6-7-13-11-3-1-2-10(8-11)9-4-5-9/h9-11,13H,1-8H2,(H,14,15)
InChIKeyVKVDTORKQNQIFW-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-cyclopropylcyclohexyl)amino]-N-ethylpropanamide
CID 113409677
3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64593683
3-[(3-cyclopropylcyclohexyl)amino]-N-propylpropanamide
CID 64623786
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid
CID 43774214
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 115584441
3-cyclopropyl-N-(2-methylsulfinylethyl)cyclohexan-1-amine
CID 115720794
3-cyclopropyl-N-pentylcyclohexan-1-amine
CID 64596400
3-(oxan-3-ylamino)propanoic acid
CID 63363556
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
4-[(3-propan-2-ylcyclohexyl)amino]butanoic acid
CID 107448290
N-(2-cyclopentyloxyethyl)-3-cyclopropylcyclohexan-1-amine
CID 64624006
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylcyclohexyl)amino]propanoic acid?
The IUPAC name of 3-[(3-cyclopropylcyclohexyl)amino]propanoic acid (CID 64593896) is 3-[(3-cyclopropylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3-cyclopropylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 3-[(3-cyclopropylcyclohexyl)amino]propanoic acid is O=C(O)CCNC1CCCC(C2CC2)C1.
What is the InChIKey of 3-[(3-cyclopropylcyclohexyl)amino]propanoic acid?
The InChIKey is VKVDTORKQNQIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(15)6-7-13-11-3-1-2-10(8-11)9-4-5-9/h9-11,13H,1-8H2,(H,14,15).
What are the key properties of 3-[(3-cyclopropylcyclohexyl)amino]propanoic acid?
3-[(3-cyclopropylcyclohexyl)amino]propanoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 64593896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).