3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid

C11H21NO3 — CID 104881655

IUPAC3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid
SMILESCC[C@H](CO)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-2-9(7-13)12-10-5-3-4-8(6-10)11(14)15/h8-10,12-13H,2-7H2,1H3,(H,14,15)/t8?,9-,10?/m1/s1
InChIKeyMRESZXZBUANWFC-HWOCKDDLSA-N
MW215.29 g/mol
LogP0.99
Rot. Bonds5

About 3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid

3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 104881655) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID104881655
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid
SMILESCC[C@H](CO)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-2-9(7-13)12-10-5-3-4-8(6-10)11(14)15/h8-10,12-13H,2-7H2,1H3,(H,14,15)/t8?,9-,10?/m1/s1
InChIKeyMRESZXZBUANWFC-HWOCKDDLSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 63044247
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
3-[1-(3-chlorophenyl)propylamino]cyclohexane-1-carboxylic acid
CID 65066383
3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881579
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol
CID 104980900
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 63044400
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid (CID 104881655) is 3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid is CC[C@H](CO)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MRESZXZBUANWFC-HWOCKDDLSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-9(7-13)12-10-5-3-4-8(6-10)11(14)15/h8-10,12-13H,2-7H2,1H3,(H,14,15)/t8?,9-,10?/m1/s1.
What are the key properties of 3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid?
3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104881655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).