2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid

C12H19N3O4 — CID 16786947

IUPAC2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
SMILESCC(NC(=O)NCC(=O)NC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H19N3O4/c1-12(10(17)18,7-2-3-7)15-11(19)13-6-9(16)14-8-4-5-8/h7-8H,2-6H2,1H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyGPCPWGYWPYRHPQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.18
Rot. Bonds6

About 2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid

2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid (PubChem CID 16786947) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
PubChem CID16786947
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
SMILESCC(NC(=O)NCC(=O)NC1CC1)(C(=O)O)C1CC1
InChIInChI=1S/C12H19N3O4/c1-12(10(17)18,7-2-3-7)15-11(19)13-6-9(16)14-8-4-5-8/h7-8H,2-6H2,1H3,(H,14,16)(H,17,18)(H2,13,15,19)
InChIKeyGPCPWGYWPYRHPQ-UHFFFAOYSA-N
XLogP-0.18
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
CID 64701436
2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 24708312
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-amino-2-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 60866101
2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
CID 103995660
2-(2-butoxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61482880
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-cyclopropyl-2-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 115521493
2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 61183248
N-cyclopropyl-2-(propylcarbamoylamino)acetamide
CID 84514772
2-cyclopropyl-2-(cyclopropylamino)propanoic acid
CID 43754464

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid (CID 16786947) is 2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid is CC(NC(=O)NCC(=O)NC1CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The InChIKey is GPCPWGYWPYRHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(10(17)18,7-2-3-7)15-11(19)13-6-9(16)14-8-4-5-8/h7-8H,2-6H2,1H3,(H,14,16)(H,17,18)(H2,13,15,19).
What are the key properties of 2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid has a molecular weight of 269.30 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 2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 16786947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).