1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid

C12H22N2O4 — CID 114131676

IUPAC1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESCOCCCCCNC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H22N2O4/c1-18-9-4-2-3-8-13-11(17)14-12(10(15)16)6-5-7-12/h2-9H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyZPVAKJFYNLQVAE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds8

About 1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid

1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid (PubChem CID 114131676) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid
PubChem CID114131676
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESCOCCCCCNC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H22N2O4/c1-18-9-4-2-3-8-13-11(17)14-12(10(15)16)6-5-7-12/h2-9H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyZPVAKJFYNLQVAE-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 62849750
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-[(4-methoxybutylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451502
1-(hept-6-enylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 107006348
1-(3-propoxypropylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 82943619
1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61191866
1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63832820
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163045

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid (CID 114131676) is 1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid is COCCCCCNC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is ZPVAKJFYNLQVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-18-9-4-2-3-8-13-11(17)14-12(10(15)16)6-5-7-12/h2-9H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid?
1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114131676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).