3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid

C11H19N3O4 — CID 64701436

IUPAC3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)NCC(=O)NC1CC1
InChIInChI=1S/C11H19N3O4/c1-11(2,5-9(16)17)14-10(18)12-6-8(15)13-7-3-4-7/h7H,3-6H2,1-2H3,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyHCRSUQYBPZTMCQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.18
Rot. Bonds6

About 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid

3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid (PubChem CID 64701436) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
PubChem CID64701436
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)NCC(=O)NC1CC1
InChIInChI=1S/C11H19N3O4/c1-11(2,5-9(16)17)14-10(18)12-6-8(15)13-7-3-4-7/h7H,3-6H2,1-2H3,(H,13,15)(H,16,17)(H2,12,14,18)
InChIKeyHCRSUQYBPZTMCQ-UHFFFAOYSA-N
XLogP-0.18
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 64702407
2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 16786947
3-(cyclobutylcarbamoylamino)-3-methylbutanoic acid
CID 64700127
3-methyl-3-[(4-propylcyclohexyl)carbamoylamino]butanoic acid
CID 64700488
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylbutanamide
CID 64684778
3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid
CID 64701514
N-cyclopropyl-2-(propylcarbamoylamino)acetamide
CID 84514772
3-methyl-3-[(1-methylpiperidin-4-yl)methylcarbamoylamino]butanoic acid
CID 64701673
3-methyl-3-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 64702434
3-methyl-3-(thiolan-2-ylmethylcarbamoylamino)butanoic acid
CID 80586461
3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbutanoic acid
CID 64670863
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 64702187

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid?
The IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid (CID 64701436) is 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)NCC(=O)NC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid?
The InChIKey is HCRSUQYBPZTMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(2,5-9(16)17)14-10(18)12-6-8(15)13-7-3-4-7/h7H,3-6H2,1-2H3,(H,13,15)(H,16,17)(H2,12,14,18).
What are the key properties of 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid?
3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.18, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 64701436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).