2-amino-N-prop-2-enoylbutanediamide

C7H11N3O3 — CID 146479347

IUPAC2-amino-N-prop-2-enoylbutanediamide
SMILESC=CC(=O)NC(=O)C(N)CC(N)=O
InChIInChI=1S/C7H11N3O3/c1-2-6(12)10-7(13)4(8)3-5(9)11/h2,4H,1,3,8H2,(H2,9,11)(H,10,12,13)
InChIKeyWIEFOJWXOGVOKJ-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.98
Rot. Bonds4

About 2-amino-N-prop-2-enoylbutanediamide

2-amino-N-prop-2-enoylbutanediamide (PubChem CID 146479347) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-amino-N-prop-2-enoylbutanediamide.

Molecular Properties

Compound Name2-amino-N-prop-2-enoylbutanediamide
PubChem CID146479347
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-amino-N-prop-2-enoylbutanediamide
SMILESC=CC(=O)NC(=O)C(N)CC(N)=O
InChIInChI=1S/C7H11N3O3/c1-2-6(12)10-7(13)4(8)3-5(9)11/h2,4H,1,3,8H2,(H2,9,11)(H,10,12,13)
InChIKeyWIEFOJWXOGVOKJ-UHFFFAOYSA-N
XLogP-1.98
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-carbamoylbutanediamide
CID 79194218
2-amino-N-(2,2-dihydroxyethyl)butanediamide
CID 154111575
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890
2-amino-N-ethylsulfonylbutanediamide
CID 103306832
(3R)-3-amino-4-oxohexanamide
CID 139478456
N-(2-aminopropyl)prop-2-enamide
CID 19993421
(2S)-2-amino-N-[(2-hydroxyphenyl)methyl]butanediamide
CID 96913231
2-amino-N-(2-methylbutan-2-yl)butanediamide
CID 60849148
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)butanediamide
CID 106187946
3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
CID 66168013
(2R)-2,4-diamino-4-oxobutanoate
CID 5460878
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-prop-2-enoylbutanediamide?
The IUPAC name of 2-amino-N-prop-2-enoylbutanediamide (CID 146479347) is 2-amino-N-prop-2-enoylbutanediamide.
What is the SMILES notation for 2-amino-N-prop-2-enoylbutanediamide?
The canonical SMILES for 2-amino-N-prop-2-enoylbutanediamide is C=CC(=O)NC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-prop-2-enoylbutanediamide?
The InChIKey is WIEFOJWXOGVOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-2-6(12)10-7(13)4(8)3-5(9)11/h2,4H,1,3,8H2,(H2,9,11)(H,10,12,13).
What are the key properties of 2-amino-N-prop-2-enoylbutanediamide?
2-amino-N-prop-2-enoylbutanediamide has a molecular weight of 185.18 g/mol, XLogP of -1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-prop-2-enoylbutanediamide is sourced from PubChem (CID 146479347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).