2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid

C13H23N3O4 — CID 79804588

IUPAC2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)NCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-3-13(4-2,11(18)19)16-12(20)14-8-7-10(17)15-9-5-6-9/h9H,3-8H2,1-2H3,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyUHWYZKREZLESRT-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.60
Rot. Bonds8

About 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid

2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid (PubChem CID 79804588) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid
PubChem CID79804588
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)NCCC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-3-13(4-2,11(18)19)16-12(20)14-8-7-10(17)15-9-5-6-9/h9H,3-8H2,1-2H3,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyUHWYZKREZLESRT-UHFFFAOYSA-N
XLogP0.60
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 78969390
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-2-methylpentanoic acid
CID 79380842
2-[(4-amino-4-oxobutyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804642
2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
(2R)-2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 79401646
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
2-[[2-(cyclopropylamino)acetyl]amino]-2-ethylbutanoic acid
CID 79803865
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
N-cyclopropyl-3-[[2-(ethylamino)acetyl]amino]propanamide
CID 79400683
2-(1-cyclopropylethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804143
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
4-[[4-(cyclopropylamino)-4-oxobutyl]amino]-2,2-diethyl-4-oxobutanoic acid
CID 79377280

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid?
The IUPAC name of 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid (CID 79804588) is 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)NCCC(=O)NC1CC1)C(=O)O.
What is the InChIKey of 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid?
The InChIKey is UHWYZKREZLESRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-13(4-2,11(18)19)16-12(20)14-8-7-10(17)15-9-5-6-9/h9H,3-8H2,1-2H3,(H,15,17)(H,18,19)(H2,14,16,20).
What are the key properties of 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid?
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-2-ethylbutanoic acid is sourced from PubChem (CID 79804588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).