4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid

C12H21NO4 — CID 79526283

IUPAC4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCOCCC(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-17-7-6-11(14)13-8-9-2-4-10(5-3-9)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyUZFFBIAVVRMMKJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.03
Rot. Bonds6

About 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid

4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 79526283) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID79526283
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCOCCC(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H21NO4/c1-17-7-6-11(14)13-8-9-2-4-10(5-3-9)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyUZFFBIAVVRMMKJ-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(pentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 21470545
4-[(3-methoxyprop-1-en-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 142509197
4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525505
4-[[(2-amino-3-methoxypropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 81101967
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-[[(3-amino-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524780
4-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808097
4-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525181
4-[(prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083
4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103018968
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
4-[(3-pyridin-4-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963619

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid (CID 79526283) is 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid is COCCC(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is UZFFBIAVVRMMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-17-7-6-11(14)13-8-9-2-4-10(5-3-9)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypropanoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79526283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).