1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid

C12H20N2O3 — CID 81162661

IUPAC1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NCC1CCCC1)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H20N2O3/c15-10(16)12(6-3-7-12)14-11(17)13-8-9-4-1-2-5-9/h9H,1-8H2,(H,15,16)(H2,13,14,17)
InChIKeyUAVSYXBRHWVNQO-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.48
Rot. Bonds4

About 1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid

1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid (PubChem CID 81162661) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
PubChem CID81162661
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
SMILESO=C(NCC1CCCC1)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H20N2O3/c15-10(16)12(6-3-7-12)14-11(17)13-8-9-4-1-2-5-9/h9H,1-8H2,(H,15,16)(H2,13,14,17)
InChIKeyUAVSYXBRHWVNQO-UHFFFAOYSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162898
1-[(3-methylcyclopentyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107414521
1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688
1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61206220
1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1-(thian-2-ylmethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 80612826
1-[(2-methylcyclopropyl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 113464039
1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63832820
1-[(1,1-dioxothiolan-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 81043035

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid (CID 81162661) is 1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid is O=C(NCC1CCCC1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid?
The InChIKey is UAVSYXBRHWVNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-10(16)12(6-3-7-12)14-11(17)13-8-9-4-1-2-5-9/h9H,1-8H2,(H,15,16)(H2,13,14,17).
What are the key properties of 1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid?
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81162661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).