1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

C11H18N2O3 — CID 115446401

IUPAC1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)NCC1(C(=O)O)CCC1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-13(8-3-4-8)10(16)12-7-11(9(14)15)5-2-6-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyKQALWYYONVLNDX-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.05
Rot. Bonds4

About 1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446401) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115446401
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)NCC1(C(=O)O)CCC1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-13(8-3-4-8)10(16)12-7-11(9(14)15)5-2-6-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyKQALWYYONVLNDX-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451281
4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440401
1-[[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312531
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434120
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769
1-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434207
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309363
1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446540
1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446609
1-[[[butan-2-yl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436713
1-[(2-ethylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362342

Frequently Asked Questions

What is the IUPAC name of 1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 115446401) is 1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is CN(C(=O)NCC1(C(=O)O)CCC1)C1CC1.
What is the InChIKey of 1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is KQALWYYONVLNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13(8-3-4-8)10(16)12-7-11(9(14)15)5-2-6-11/h8H,2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[cyclopropyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).