2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid

C14H25NO2 — CID 65061416

IUPAC2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
SMILESCC(C)C1CCC(NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C14H25NO2/c1-9(2)10-5-7-12(8-6-10)15-13(14(16)17)11-3-4-11/h9-13,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyIWDKQGCORPIWQH-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.65
Rot. Bonds5

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

2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid (PubChem CID 65061416) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
PubChem CID65061416
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
SMILESCC(C)C1CCC(NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C14H25NO2/c1-9(2)10-5-7-12(8-6-10)15-13(14(16)17)11-3-4-11/h9-13,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyIWDKQGCORPIWQH-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 23221767
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid
CID 65060463
2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile
CID 161366805
2-cyclopropyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetic acid
CID 65077029
2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
CID 65061467
2-cyclopropyl-2-[(3-methoxycyclobutyl)amino]acetic acid
CID 106824322
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
2-cyclopropyl-2-[(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65059922
2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
CID 146194288
N,N-dimethyl-2-[(4-propan-2-ylcyclohexyl)amino]propanamide
CID 55106384
(2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride
CID 68649857

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid (CID 65061416) is 2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid is CC(C)C1CCC(NC(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid?
The InChIKey is IWDKQGCORPIWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-9(2)10-5-7-12(8-6-10)15-13(14(16)17)11-3-4-11/h9-13,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid?
2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid has a molecular weight of 239.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 65061416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).