2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid

C10H17NO3 — CID 43445011

IUPAC2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
SMILESCC1CCCC(NC(=O)C(=O)O)C1C
InChIInChI=1S/C10H17NO3/c1-6-4-3-5-8(7(6)2)11-9(12)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyPXMHFXBUVDWBJS-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds1

About 2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid

2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid (PubChem CID 43445011) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
PubChem CID43445011
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
SMILESCC1CCCC(NC(=O)C(=O)O)C1C
InChIInChI=1S/C10H17NO3/c1-6-4-3-5-8(7(6)2)11-9(12)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyPXMHFXBUVDWBJS-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103234715
N-(2,3-dimethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429431
4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496143
1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea
CID 115569990
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
1-(cyclohexanecarbonylamino)-3-[(1R,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11946131
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
N-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]carbamothioyl]cyclopropanecarboxamide
CID 7858471
2-[[(2,3-dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide
CID 43327567
1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441762

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid (CID 43445011) is 2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid is CC1CCCC(NC(=O)C(=O)O)C1C.
What is the InChIKey of 2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid?
The InChIKey is PXMHFXBUVDWBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-6-4-3-5-8(7(6)2)11-9(12)10(13)14/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid?
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid has a molecular weight of 199.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 43445011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).