2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide

C8H14N4O3 — CID 87372712

IUPAC2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide
SMILESC=C(C)C(=O)N(N)C(=O)CNC(=O)CN
InChIInChI=1S/C8H14N4O3/c1-5(2)8(15)12(10)7(14)4-11-6(13)3-9/h1,3-4,9-10H2,2H3,(H,11,13)
InChIKeyZRCYLEBFMDQAOS-UHFFFAOYSA-N
MW214.22 g/mol
LogP-2.13
Rot. Bonds4

About 2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide (PubChem CID 87372712) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide
PubChem CID87372712
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide
SMILESC=C(C)C(=O)N(N)C(=O)CNC(=O)CN
InChIInChI=1S/C8H14N4O3/c1-5(2)8(15)12(10)7(14)4-11-6(13)3-9/h1,3-4,9-10H2,2H3,(H,11,13)
InChIKeyZRCYLEBFMDQAOS-UHFFFAOYSA-N
XLogP-2.13
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-Amino-2-oxoethyl)-2-methylprop-2-enamide
CID 19076196
N-(2-aminoacetyl)-2-methylprop-2-enehydrazide
CID 21621780
N-(2-hydrazinyl-2-oxoethyl)-2-methylprop-2-enamide
CID 22354204
[2-[2-(2-Methylprop-2-enoyl)hydrazinyl]-2-oxoethyl]urea
CID 54201782
Glycine, N-(2-methyl-1-oxo-2-propen-1-yl)glycyl-, hydrazide
CID 87658348
2-methyl-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide
CID 88288285
2-methyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 88288961
N-[2-(ethylamino)-2-oxoethyl]-2-methylprop-2-enamide
CID 88289572
N-(2-hydrazinyl-2-oxoethyl)-2-methylprop-2-enamide;hydrochloride
CID 88298248
2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide
CID 139442568
2-methyl-N-[2-(methylamino)acetyl]prop-2-enamide
CID 141610414
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-2-methylprop-2-enamide
CID 148824769

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide (CID 87372712) is 2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide is C=C(C)C(=O)N(N)C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide?
The InChIKey is ZRCYLEBFMDQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-5(2)8(15)12(10)7(14)4-11-6(13)3-9/h1,3-4,9-10H2,2H3,(H,11,13).
What are the key properties of 2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide has a molecular weight of 214.22 g/mol, XLogP of -2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[amino(2-methylprop-2-enoyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 87372712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).