1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid

C10H17N3O4 — CID 106917097

IUPAC1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid
SMILESCNC(=O)CCN(C)C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C10H17N3O4/c1-11-7(14)3-6-13(2)9(17)12-10(4-5-10)8(15)16/h3-6H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyICQYAWJCMHMNNA-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.62
Rot. Bonds5

About 1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid

1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 106917097) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid
PubChem CID106917097
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid
SMILESCNC(=O)CCN(C)C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C10H17N3O4/c1-11-7(14)3-6-13(2)9(17)12-10(4-5-10)8(15)16/h3-6H2,1-2H3,(H,11,14)(H,12,17)(H,15,16)
InChIKeyICQYAWJCMHMNNA-UHFFFAOYSA-N
XLogP-0.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55002384
1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 81057648
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197210
1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162794
1-[[2-cyanoethyl(methyl)carbamoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61184362
1-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61449694
3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid
CID 64688064
1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79379384
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984113
1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163350

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid (CID 106917097) is 1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid is CNC(=O)CCN(C)C(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is ICQYAWJCMHMNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-11-7(14)3-6-13(2)9(17)12-10(4-5-10)8(15)16/h3-6H2,1-2H3,(H,11,14)(H,12,17)(H,15,16).
What are the key properties of 1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid?
1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106917097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).