4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid

C16H29NO2 — CID 65058774

IUPAC4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C1CCCC(C2CC2)C1
InChIInChI=1S/C16H29NO2/c1-12(2)17(10-4-7-16(18)19)15-6-3-5-14(11-15)13-8-9-13/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyJQXYZAXPODZHLG-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds7

About 4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid

4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid (PubChem CID 65058774) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid
PubChem CID65058774
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C1CCCC(C2CC2)C1
InChIInChI=1S/C16H29NO2/c1-12(2)17(10-4-7-16(18)19)15-6-3-5-14(11-15)13-8-9-13/h12-15H,3-11H2,1-2H3,(H,18,19)
InChIKeyJQXYZAXPODZHLG-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[propan-2-yl-(3-propan-2-ylcyclobutyl)amino]butanoic acid
CID 103565080
4-[(1,1-dioxothian-3-yl)-propan-2-ylamino]butanoic acid
CID 65058631
4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 65058593
4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid
CID 65058588
3-[(4,4-dimethylcycloheptyl)-propan-2-ylamino]propanoic acid
CID 65087705
4-[(2,2-dimethylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 79863209
4-[(2-tert-butylcyclohexyl)-propan-2-ylamino]butanoic acid
CID 65058866
3-[(1-methylsulfonylpiperidin-4-yl)-propan-2-ylamino]propanoic acid
CID 114239173
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid
CID 90477996
4-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-propan-2-ylamino]butanoic acid
CID 63770540
4-[methyl-(1-propan-2-ylazepan-4-yl)amino]butanoic acid
CID 65076652

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid (CID 65058774) is 4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C1CCCC(C2CC2)C1.
What is the InChIKey of 4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid?
The InChIKey is JQXYZAXPODZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12(2)17(10-4-7-16(18)19)15-6-3-5-14(11-15)13-8-9-13/h12-15H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid?
4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylcyclohexyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 65058774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).