3-amino-N-(N'-methylcarbamimidoyl)propanamide

C5H12N4O — CID 123176626

IUPAC3-amino-N-(N'-methylcarbamimidoyl)propanamide
SMILESC/N=C(\N)NC(=O)CCN
InChIInChI=1S/C5H12N4O/c1-8-5(7)9-4(10)2-3-6/h2-3,6H2,1H3,(H3,7,8,9,10)
InChIKeyHDKIJPLETKRSLT-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.60
Rot. Bonds2

About 3-amino-N-(N'-methylcarbamimidoyl)propanamide

3-amino-N-(N'-methylcarbamimidoyl)propanamide (PubChem CID 123176626) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 3-amino-N-(N'-methylcarbamimidoyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(N'-methylcarbamimidoyl)propanamide
PubChem CID123176626
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name3-amino-N-(N'-methylcarbamimidoyl)propanamide
SMILESC/N=C(\N)NC(=O)CCN
InChIInChI=1S/C5H12N4O/c1-8-5(7)9-4(10)2-3-6/h2-3,6H2,1H3,(H3,7,8,9,10)
InChIKeyHDKIJPLETKRSLT-UHFFFAOYSA-N
XLogP-1.60
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-amino-N-(N'-methylcarbamimidoyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-5,6-dihydropyrimidin-4(3h)-one
CID 242426
Pyrimidine, 2-acetamido-1,4,5,6-tetrahydro-
CID 55287090
4(1H)-Pyrimidinone, tetrahydro-2-imino-6-methyl-
CID 97863
N-acetylagmatine
CID 129680490
N-(N'-cyanocarbamimidoyl)propanamide
CID 135432331
2-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)guanidine
CID 139220797
2-Amino-5-methyl-5,6-dihydropyrimidin-4(3h)-one
CID 243055
2,5-Diamino-5,6-dihydropyrimidin-4(1H)-one
CID 12736612
(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)urea
CID 13587788
beta-Alacleatinine hydrochloride
CID 15558655
N-isopropyl-N'-(ethylcarbonyl)guanidine
CID 21964278
N-(N'-ethylcarbamimidoyl)propanamide
CID 89231878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(N'-methylcarbamimidoyl)propanamide?
The IUPAC name of 3-amino-N-(N'-methylcarbamimidoyl)propanamide (CID 123176626) is 3-amino-N-(N'-methylcarbamimidoyl)propanamide.
What is the SMILES notation for 3-amino-N-(N'-methylcarbamimidoyl)propanamide?
The canonical SMILES for 3-amino-N-(N'-methylcarbamimidoyl)propanamide is C/N=C(\N)NC(=O)CCN.
What is the InChIKey of 3-amino-N-(N'-methylcarbamimidoyl)propanamide?
The InChIKey is HDKIJPLETKRSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-8-5(7)9-4(10)2-3-6/h2-3,6H2,1H3,(H3,7,8,9,10).
What are the key properties of 3-amino-N-(N'-methylcarbamimidoyl)propanamide?
3-amino-N-(N'-methylcarbamimidoyl)propanamide has a molecular weight of 144.18 g/mol, XLogP of -1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(N'-methylcarbamimidoyl)propanamide is sourced from PubChem (CID 123176626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).