1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid

C8H13N3O4 — CID 53397452

IUPAC1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)CNC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C8H13N3O4/c9-5(12)3-10-7(15)11-4-8(1-2-8)6(13)14/h1-4H2,(H2,9,12)(H,13,14)(H2,10,11,15)
InChIKeyZMLVWQUBHIXWAQ-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.36
Rot. Bonds5

About 1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 53397452) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID53397452
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)CNC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C8H13N3O4/c9-5(12)3-10-7(15)11-4-8(1-2-8)6(13)14/h1-4H2,(H2,9,12)(H,13,14)(H2,10,11,15)
InChIKeyZMLVWQUBHIXWAQ-UHFFFAOYSA-N
XLogP-1.36
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451266
1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451265
4-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 113310291
1-[[(2-methoxy-2-oxoethyl)carbamoylamino]methyl]cycloheptane-1-carboxylic acid
CID 115444671
1-[[[2-(methylamino)-2-oxoethyl]carbamoylamino]methyl]cycloheptane-1-carboxylic acid
CID 115444709
1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433058
1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106239344
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-[[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434048
1-[[(4-carbamoylphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451138
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450729

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid (CID 53397452) is 1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid is NC(=O)CNC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZMLVWQUBHIXWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c9-5(12)3-10-7(15)11-4-8(1-2-8)6(13)14/h1-4H2,(H2,9,12)(H,13,14)(H2,10,11,15).
What are the key properties of 1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of -1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53397452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).