1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

C12H21N3O4 — CID 115451439

IUPAC1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)CN(CC)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-3-13-9(16)7-15(4-2)11(19)14-8-12(5-6-12)10(17)18/h3-8H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyMFXOOIUVVLCGBK-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.02
Rot. Bonds7

About 1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451439) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451439
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCNC(=O)CN(CC)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H21N3O4/c1-3-13-9(16)7-15(4-2)11(19)14-8-12(5-6-12)10(17)18/h3-8H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyMFXOOIUVVLCGBK-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
1-[[[ethyl(2-methylpropyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451233
1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451479
1-[[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446641
1-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 65465097
1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446540
1-[[[butyl(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65220926
1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442992
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115451439) is 1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is CCNC(=O)CN(CC)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is MFXOOIUVVLCGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-13-9(16)7-15(4-2)11(19)14-8-12(5-6-12)10(17)18/h3-8H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).