3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid

C10H17NO3 — CID 62229888

IUPAC3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
SMILESCC1CCCC(NC(=O)CC(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-7-3-2-4-8(5-7)11-9(12)6-10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyJGFVXQGFGSTKHM-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds3

About 3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid

3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid (PubChem CID 62229888) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
PubChem CID62229888
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid
SMILESCC1CCCC(NC(=O)CC(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-7-3-2-4-8(5-7)11-9(12)6-10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyJGFVXQGFGSTKHM-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3-methylcyclohexyl)carbamic acid
CID 67410451
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
(3-methylcycloheptyl)carbamic acid
CID 143291001
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
2-(4-aminocyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 62781685
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
N-cyclohexyl-2-[(3-methylcyclohexyl)amino]acetamide
CID 43317870
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 111464407
4-amino-3-methyl-N-(3-methylcyclohexyl)butanamide
CID 81071155
4-(methylamino)-N-(3-methylcyclohexyl)butanamide;hydrochloride
CID 119716283
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid (CID 62229888) is 3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid is CC1CCCC(NC(=O)CC(=O)O)C1.
What is the InChIKey of 3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid?
The InChIKey is JGFVXQGFGSTKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-3-2-4-8(5-7)11-9(12)6-10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid?
3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclohexyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62229888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).