3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide

C7H14N2O2 — CID 106174286

IUPAC3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide
SMILESC/C=C/CNCC(O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-4-9-5-6(10)7(8)11/h2-3,6,9-10H,4-5H2,1H3,(H2,8,11)/b3-2+
InChIKeyKZJANISXPYUKSL-NSCUHMNNSA-N
MW158.20 g/mol
LogP-1.00
Rot. Bonds5

About 3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide

3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide (PubChem CID 106174286) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide
PubChem CID106174286
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide
SMILESC/C=C/CNCC(O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-4-9-5-6(10)7(8)11/h2-3,6,9-10H,4-5H2,1H3,(H2,8,11)/b3-2+
InChIKeyKZJANISXPYUKSL-NSCUHMNNSA-N
XLogP-1.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(prop-2-en-1-yl)propanamide
CID 223415
8Fzb7U9ryw
CID 55286289
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
2-Hydroxy-3-(prop-2-enylamino)propanamide
CID 88845668
(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide
CID 90065128
2-hydroxy-N-(3-hydroxyprop-2-enyl)propanamide
CID 135304702
2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 147004799
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane
CID 162126107
3-amino-2-hydroxy-N-prop-2-enylpropanamide
CID 84107085
7RM79Syy8W
CID 92336268
N-(3-amino-2-hydroxy-3-oxopropyl)hexa-2,4-dienamide
CID 106164070
N-(3-amino-2-hydroxy-3-oxopropyl)but-3-enamide
CID 106164737

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide (CID 106174286) is 3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide is C/C=C/CNCC(O)C(N)=O.
What is the InChIKey of 3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide?
The InChIKey is KZJANISXPYUKSL-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-4-9-5-6(10)7(8)11/h2-3,6,9-10H,4-5H2,1H3,(H2,8,11)/b3-2+.
What are the key properties of 3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide?
3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide has a molecular weight of 158.20 g/mol, XLogP of -1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106174286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).