3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium

C10H20N3O2+ — CID 7321968

IUPAC3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)C(=O)NC1CC1
InChIInChI=1S/C10H19N3O2/c1-13(2)7-3-6-11-9(14)10(15)12-8-4-5-8/h8H,3-7H2,1-2H3,(H,11,14)(H,12,15)/p+1
InChIKeyDEWVTSDBFNHPJU-UHFFFAOYSA-O
MW214.29 g/mol
LogP-2.08
Rot. Bonds5

About 3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium

3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium (PubChem CID 7321968) has the molecular formula C10H20N3O2+ and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium
PubChem CID7321968
Molecular FormulaC10H20N3O2+
Molecular Weight214.29 g/mol
Exact Mass214.16
IUPAC Name3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)C(=O)NC1CC1
InChIInChI=1S/C10H19N3O2/c1-13(2)7-3-6-11-9(14)10(15)12-8-4-5-8/h8H,3-7H2,1-2H3,(H,11,14)(H,12,15)/p+1
InChIKeyDEWVTSDBFNHPJU-UHFFFAOYSA-O
XLogP-2.08
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N'-cyclopropyloxamide
CID 43315719
N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide
CID 3312354
N'-cyclododecyl-N-(5-hydroxypentyl)oxamide
CID 108517393
N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide
CID 95984687
N-(2-aminoethyl)-N'-(4-hydroxycyclohexyl)oxamide
CID 43315763
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide
CID 108517389
N'-cyclododecyl-N-(2-hydroxyethyl)oxamide
CID 108517410
N'-cyclopropyl-N-[(2R)-2-hydroxypropyl]oxamide
CID 51471601
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179
3-[[4-[3-(dimethylazaniumyl)propylcarbamoyl]benzoyl]amino]propyl-dimethylazanium
CID 2164611
N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892366

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium (CID 7321968) is 3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium is C[NH+](C)CCCNC(=O)C(=O)NC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium?
The InChIKey is DEWVTSDBFNHPJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19N3O2/c1-13(2)7-3-6-11-9(14)10(15)12-8-4-5-8/h8H,3-7H2,1-2H3,(H,11,14)(H,12,15)/p+1.
What are the key properties of 3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium?
3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium has a molecular weight of 214.29 g/mol, XLogP of -2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylamino)-2-oxoacetyl]amino]propyl-dimethylazanium is sourced from PubChem (CID 7321968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).