N'-(hydroxymethyl)-2-methylidenepropanediamide

C5H8N2O3 — CID 19799962

IUPACN'-(hydroxymethyl)-2-methylidenepropanediamide
SMILESC=C(C(N)=O)C(=O)NCO
InChIInChI=1S/C5H8N2O3/c1-3(4(6)9)5(10)7-2-8/h8H,1-2H2,(H2,6,9)(H,7,10)
InChIKeyUMYACXNCSOMDCU-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.91
Rot. Bonds3

About N'-(hydroxymethyl)-2-methylidenepropanediamide

N'-(hydroxymethyl)-2-methylidenepropanediamide (PubChem CID 19799962) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is N'-(hydroxymethyl)-2-methylidenepropanediamide.

Molecular Properties

Compound NameN'-(hydroxymethyl)-2-methylidenepropanediamide
PubChem CID19799962
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC NameN'-(hydroxymethyl)-2-methylidenepropanediamide
SMILESC=C(C(N)=O)C(=O)NCO
InChIInChI=1S/C5H8N2O3/c1-3(4(6)9)5(10)7-2-8/h8H,1-2H2,(H2,6,9)(H,7,10)
InChIKeyUMYACXNCSOMDCU-UHFFFAOYSA-N
XLogP-1.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N'-(hydroxymethyl)-2,4-dimethylidenepentanediamide
CID 53437142
4-hydroxy-N-(hydroxymethyl)-2-methylidenebutanamide
CID 91244020
2-(oxamoylamino)acetic acid
CID 55281663
bis(1,3-bis(hydroxymethyl)urea);hydroxymethylurea;methane
CID 158808417
3-carbamoyl-2-methylidenebut-3-enoic acid
CID 71342236
2-aminoprop-2-enamide
CID 3332061
2-methylprop-2-enylurea
CID 22226516
2-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 87325841
2-hydroxyethyl 3-(2-hydroxyethylcarbamoyl)-2-methylidenebut-3-enoate
CID 155635336
N-(hydroxymethyl)-2-methylprop-2-enamide;methyl prop-2-enoate
CID 158189106
1,3-bis(hydroxymethyl)urea;hydrate
CID 139703272
N-(hydroxymethyl)-3-oxopent-4-enamide
CID 20517920

Frequently Asked Questions

What is the IUPAC name of N'-(hydroxymethyl)-2-methylidenepropanediamide?
The IUPAC name of N'-(hydroxymethyl)-2-methylidenepropanediamide (CID 19799962) is N'-(hydroxymethyl)-2-methylidenepropanediamide.
What is the SMILES notation for N'-(hydroxymethyl)-2-methylidenepropanediamide?
The canonical SMILES for N'-(hydroxymethyl)-2-methylidenepropanediamide is C=C(C(N)=O)C(=O)NCO.
What is the InChIKey of N'-(hydroxymethyl)-2-methylidenepropanediamide?
The InChIKey is UMYACXNCSOMDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3(4(6)9)5(10)7-2-8/h8H,1-2H2,(H2,6,9)(H,7,10).
What are the key properties of N'-(hydroxymethyl)-2-methylidenepropanediamide?
N'-(hydroxymethyl)-2-methylidenepropanediamide has a molecular weight of 144.13 g/mol, XLogP of -1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(hydroxymethyl)-2-methylidenepropanediamide is sourced from PubChem (CID 19799962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).