1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

C11H18N2O3 — CID 115451238

IUPAC1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1CCC1)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c14-9(15)11(4-5-11)7-13-10(16)12-6-8-2-1-3-8/h8H,1-7H2,(H,14,15)(H2,12,13,16)
InChIKeyMJGPZDNNRIEFSW-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.95
Rot. Bonds5

About 1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451238) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115451238
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1CCC1)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H18N2O3/c14-9(15)11(4-5-11)7-13-10(16)12-6-8-2-1-3-8/h8H,1-7H2,(H,14,15)(H2,12,13,16)
InChIKeyMJGPZDNNRIEFSW-UHFFFAOYSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(oxan-4-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436924
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107420021
1-[[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451556
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309357
1-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107414720
1-[(oxolan-3-ylmethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444790
1-[(thiolan-3-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 107297586
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246539
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107419976

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (CID 115451238) is 1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is O=C(NCC1CCC1)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is MJGPZDNNRIEFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-9(15)11(4-5-11)7-13-10(16)12-6-8-2-1-3-8/h8H,1-7H2,(H,14,15)(H2,12,13,16).
What are the key properties of 1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).