3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid

C12H23N3O3 — CID 82003164

IUPAC3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid
SMILESCC(CNC(=O)NC(CC(=O)O)C1CC1)N(C)C
InChIInChI=1S/C12H23N3O3/c1-8(15(2)3)7-13-12(18)14-10(6-11(16)17)9-4-5-9/h8-10H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyCGWADKORALYALN-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.49
Rot. Bonds7

About 3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid

3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid (PubChem CID 82003164) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid
PubChem CID82003164
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid
SMILESCC(CNC(=O)NC(CC(=O)O)C1CC1)N(C)C
InChIInChI=1S/C12H23N3O3/c1-8(15(2)3)7-13-12(18)14-10(6-11(16)17)9-4-5-9/h8-10H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18)
InChIKeyCGWADKORALYALN-UHFFFAOYSA-N
XLogP0.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907220
2-cyclopropyl-2-[2-(dimethylamino)propylcarbamoylamino]acetic acid
CID 62711231
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid
CID 82003378
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
3-cyclopropyl-3-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 82002423
2-cyclopropyl-2-[2-(dimethylamino)propylamino]acetic acid
CID 103245185
3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid
CID 114111558
3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
CID 82003269
3-cyclopropyl-3-(octan-4-ylcarbamoylamino)propanoic acid
CID 106020595
3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid
CID 82002983

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid (CID 82003164) is 3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid is CC(CNC(=O)NC(CC(=O)O)C1CC1)N(C)C.
What is the InChIKey of 3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid?
The InChIKey is CGWADKORALYALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8(15(2)3)7-13-12(18)14-10(6-11(16)17)9-4-5-9/h8-10H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18).
What are the key properties of 3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid?
3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid is sourced from PubChem (CID 82003164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).