2-(butan-2-ylamino)cyclohexane-1-carboxylic acid

C11H21NO2 — CID 79694697

IUPAC2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
SMILESCCC(C)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-8(2)12-10-7-5-4-6-9(10)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyONMFRCRRPLHRSI-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds4

About 2-(butan-2-ylamino)cyclohexane-1-carboxylic acid

2-(butan-2-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 79694697) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(butan-2-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
PubChem CID79694697
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
SMILESCCC(C)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H21NO2/c1-3-8(2)12-10-7-5-4-6-9(10)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyONMFRCRRPLHRSI-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103247689
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
trans-(1R,2R)-N-butan-2-yl-2-fluorocyclohexan-1-amine
CID 126847801
2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64814769
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
2-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 64816256
1-[(2S)-butan-2-yl]-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 124715194
trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
CID 118692709
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(butan-2-ylamino)cyclohexane-1-carboxylic acid (CID 79694697) is 2-(butan-2-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(butan-2-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(butan-2-ylamino)cyclohexane-1-carboxylic acid is CCC(C)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(butan-2-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is ONMFRCRRPLHRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-8(2)12-10-7-5-4-6-9(10)11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(butan-2-ylamino)cyclohexane-1-carboxylic acid?
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79694697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).