2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid

C14H25NO2 — CID 65060463

IUPAC2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid
SMILESCCCC1CCC(NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C14H25NO2/c1-2-3-10-4-8-12(9-5-10)15-13(14(16)17)11-6-7-11/h10-13,15H,2-9H2,1H3,(H,16,17)
InChIKeyINRAXEUVBIHGTQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.80
Rot. Bonds6

About 2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid

2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid (PubChem CID 65060463) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid
PubChem CID65060463
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid
SMILESCCCC1CCC(NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C14H25NO2/c1-2-3-10-4-8-12(9-5-10)15-13(14(16)17)11-6-7-11/h10-13,15H,2-9H2,1H3,(H,16,17)
InChIKeyINRAXEUVBIHGTQ-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65061416
2-hydroxy-2-(4-propylcyclohexyl)acetic acid
CID 66289223
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
2-methyl-3-oxo-3-[(4-propylcyclohexyl)amino]propanoic acid
CID 114898278
3-methyl-2-[(4-propylcyclohexyl)amino]butanamide
CID 113233122
2-[(4-pentylcyclohexyl)amino]propanoic acid
CID 174627181
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606
2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile
CID 161366805
2-cyclopropyl-2-[(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65059922
3-cyclopropyl-3-[(4-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 82002788
3-methyl-2-[[(4-propylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 65221396
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid (CID 65060463) is 2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid is CCCC1CCC(NC(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid?
The InChIKey is INRAXEUVBIHGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-10-4-8-12(9-5-10)15-13(14(16)17)11-6-7-11/h10-13,15H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid?
2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid has a molecular weight of 239.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 65060463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).