N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide

C6H12N4O3 — CID 43315738

IUPACN-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide
SMILESNCCNC(=O)C(=O)NCC(N)=O
InChIInChI=1S/C6H12N4O3/c7-1-2-9-5(12)6(13)10-3-4(8)11/h1-3,7H2,(H2,8,11)(H,9,12)(H,10,13)
InChIKeySMQRASFMRAGUCN-UHFFFAOYSA-N
MW188.19 g/mol
LogP-3.34
Rot. Bonds4

About N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide

N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide (PubChem CID 43315738) has the molecular formula C6H12N4O3 and a molecular weight of 188.19 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide
PubChem CID43315738
Molecular FormulaC6H12N4O3
Molecular Weight188.19 g/mol
Exact Mass188.09
IUPAC NameN-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide
SMILESNCCNC(=O)C(=O)NCC(N)=O
InChIInChI=1S/C6H12N4O3/c7-1-2-9-5(12)6(13)10-3-4(8)11/h1-3,7H2,(H2,8,11)(H,9,12)(H,10,13)
InChIKeySMQRASFMRAGUCN-UHFFFAOYSA-N
XLogP-3.34
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-3.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]acetamide
CID 57107156
N-(2-aminoethyl)-2-methylidenebutanamide
CID 87507056
N-(2-aminoethyl)-N'-cyclopropyloxamide
CID 43315719
N'-(2-amino-2-oxoethyl)-N-dodecyloxamide;2-methylbutane
CID 143772095
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
CID 115514932
2-[(2-chloroacetyl)amino]acetamide
CID 28605345
N-(2-aminoethyl)-N'-(2,2-dimethylbutyl)oxamide
CID 103460009
2-aminoethylcarbamic acid;ethane-1,2-diamine
CID 173123668
2-(3-aminopropylamino)acetamide
CID 59908103
N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide
CID 107416399
N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide
CID 90944111

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide (CID 43315738) is N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide is NCCNC(=O)C(=O)NCC(N)=O.
What is the InChIKey of N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide?
The InChIKey is SMQRASFMRAGUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3/c7-1-2-9-5(12)6(13)10-3-4(8)11/h1-3,7H2,(H2,8,11)(H,9,12)(H,10,13).
What are the key properties of N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide?
N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide has a molecular weight of 188.19 g/mol, XLogP of -3.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-(2-amino-2-oxoethyl)oxamide is sourced from PubChem (CID 43315738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).