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

C10H17NO3 — CID 152629201

IUPAC1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@H](C=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H17NO3/c1-8(7-12)11-10(9(13)14)5-3-2-4-6-10/h7-8,11H,2-6H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyZDDXCMNTPWINQW-MRVPVSSYSA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds4

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

1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 152629201) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID152629201
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
SMILESC[C@H](C=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H17NO3/c1-8(7-12)11-10(9(13)14)5-3-2-4-6-10/h7-8,11H,2-6H2,1H3,(H,13,14)/t8-/m1/s1
InChIKeyZDDXCMNTPWINQW-MRVPVSSYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid
CID 81167556
1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid
CID 114991633
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-[(1-amino-1-oxopropan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 82238350
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid
CID 114988020
1-formamidocyclohexane-1-carboxylic acid
CID 61147418
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid (CID 152629201) is 1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid is C[C@H](C=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ZDDXCMNTPWINQW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(7-12)11-10(9(13)14)5-3-2-4-6-10/h7-8,11H,2-6H2,1H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid?
1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 152629201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).