2-(prop-2-enylcarbamoylamino)propanediamide

C7H12N4O3 — CID 36507216

IUPAC2-(prop-2-enylcarbamoylamino)propanediamide
SMILESC=CCNC(=O)NC(C(N)=O)C(N)=O
InChIInChI=1S/C7H12N4O3/c1-2-3-10-7(14)11-4(5(8)12)6(9)13/h2,4H,1,3H2,(H2,8,12)(H2,9,13)(H2,10,11,14)
InChIKeyOVOCJYTZLUWBMN-UHFFFAOYSA-N
MW200.20 g/mol
LogP-2.19
Rot. Bonds5

About 2-(prop-2-enylcarbamoylamino)propanediamide

2-(prop-2-enylcarbamoylamino)propanediamide (PubChem CID 36507216) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-(prop-2-enylcarbamoylamino)propanediamide.

Molecular Properties

Compound Name2-(prop-2-enylcarbamoylamino)propanediamide
PubChem CID36507216
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name2-(prop-2-enylcarbamoylamino)propanediamide
SMILESC=CCNC(=O)NC(C(N)=O)C(N)=O
InChIInChI=1S/C7H12N4O3/c1-2-3-10-7(14)11-4(5(8)12)6(9)13/h2,4H,1,3H2,(H2,8,12)(H2,9,13)(H2,10,11,14)
InChIKeyOVOCJYTZLUWBMN-UHFFFAOYSA-N
XLogP-2.19
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 3947242
(2S)-4-methoxy-4-oxo-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 63307007
ethyl 3-methyl-2-(prop-2-enylcarbamoylamino)butanoate
CID 74225357
N-(prop-2-enylcarbamoyl)formamide
CID 87901285
ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate
CID 10857595
methyl 3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enylcarbamoylamino)propanoate
CID 4204342
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469
1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride
CID 131224415
1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 87694211
(2S,3R)-3-methyl-2-(prop-2-enylcarbamoylamino)pentanoate
CID 2025662
benzyl N-[1-amino-1,3-dioxo-3-(prop-2-enylamino)propan-2-yl]carbamate
CID 70609159
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
CID 60636446

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylcarbamoylamino)propanediamide?
The IUPAC name of 2-(prop-2-enylcarbamoylamino)propanediamide (CID 36507216) is 2-(prop-2-enylcarbamoylamino)propanediamide.
What is the SMILES notation for 2-(prop-2-enylcarbamoylamino)propanediamide?
The canonical SMILES for 2-(prop-2-enylcarbamoylamino)propanediamide is C=CCNC(=O)NC(C(N)=O)C(N)=O.
What is the InChIKey of 2-(prop-2-enylcarbamoylamino)propanediamide?
The InChIKey is OVOCJYTZLUWBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-2-3-10-7(14)11-4(5(8)12)6(9)13/h2,4H,1,3H2,(H2,8,12)(H2,9,13)(H2,10,11,14).
What are the key properties of 2-(prop-2-enylcarbamoylamino)propanediamide?
2-(prop-2-enylcarbamoylamino)propanediamide has a molecular weight of 200.20 g/mol, XLogP of -2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylcarbamoylamino)propanediamide is sourced from PubChem (CID 36507216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).