1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid

C12H21NO4 — CID 103627584

IUPAC1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCOCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H21NO4/c1-2-8-17-9-10(14)13-12(11(15)16)6-4-3-5-7-12/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeySLUVFTSSMIHAFT-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.32
Rot. Bonds6

About 1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid

1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 103627584) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid
PubChem CID103627584
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCOCC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C12H21NO4/c1-2-8-17-9-10(14)13-12(11(15)16)6-4-3-5-7-12/h2-9H2,1H3,(H,13,14)(H,15,16)
InChIKeySLUVFTSSMIHAFT-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcyclohexyl)-2-propoxyacetamide
CID 107938915
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
N-[1-(hydroxymethyl)cyclopropyl]-2-propoxyacetamide
CID 103881092
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid
CID 120539104
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-[(2-butylsulfanylacetyl)amino]cycloheptane-1-carboxylic acid
CID 43360681
N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide
CID 61123744
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid (CID 103627584) is 1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid is CCCOCC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SLUVFTSSMIHAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-8-17-9-10(14)13-12(11(15)16)6-4-3-5-7-12/h2-9H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propoxyacetyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103627584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).