1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid

C13H15N3O4 — CID 115451138

IUPAC1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)NCC2(C(=O)O)CC2)cc1
InChIInChI=1S/C13H15N3O4/c14-10(17)8-1-3-9(4-2-8)16-12(20)15-7-13(5-6-13)11(18)19/h1-4H,5-7H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyTZNUYFZJICQKCG-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.77
Rot. Bonds5

About 1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451138) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451138
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)NCC2(C(=O)O)CC2)cc1
InChIInChI=1S/C13H15N3O4/c14-10(17)8-1-3-9(4-2-8)16-12(20)15-7-13(5-6-13)11(18)19/h1-4H,5-7H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyTZNUYFZJICQKCG-UHFFFAOYSA-N
XLogP0.77
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115445330
1-[[(4-iodophenyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436676
4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
1-[(4-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61186362
1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433087
4-[[(4-iodophenyl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440290
1-[[(3,5-dichlorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312361
4-(1-adamantylmethylcarbamoylamino)benzamide
CID 108870439
1-[[(3,4-dimethylphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433949
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 53397452

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid (CID 115451138) is 1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid is NC(=O)c1ccc(NC(=O)NCC2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is TZNUYFZJICQKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c14-10(17)8-1-3-9(4-2-8)16-12(20)15-7-13(5-6-13)11(18)19/h1-4H,5-7H2,(H2,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).