3-(but-3-en-2-ylamino)-2-hydroxypropanamide

C7H14N2O2 — CID 106174427

IUPAC3-(but-3-en-2-ylamino)-2-hydroxypropanamide
SMILESC=CC(C)NCC(O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-3-5(2)9-4-6(10)7(8)11/h3,5-6,9-10H,1,4H2,2H3,(H2,8,11)
InChIKeyXQTNLFWOGVNTQM-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.00
Rot. Bonds5

About 3-(but-3-en-2-ylamino)-2-hydroxypropanamide

3-(but-3-en-2-ylamino)-2-hydroxypropanamide (PubChem CID 106174427) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(but-3-en-2-ylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(but-3-en-2-ylamino)-2-hydroxypropanamide
PubChem CID106174427
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-(but-3-en-2-ylamino)-2-hydroxypropanamide
SMILESC=CC(C)NCC(O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-3-5(2)9-4-6(10)7(8)11/h3,5-6,9-10H,1,4H2,2H3,(H2,8,11)
InChIKeyXQTNLFWOGVNTQM-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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,N'-bis(prop-2-enyl)propanediamide;methane
CID 162126107
(2R)-2-hydroxy-N-propan-2-ylbut-3-enamide
CID 170341446
3-amino-2-hydroxy-N-prop-2-enylpropanamide
CID 84107085
N-(3-amino-2-hydroxy-3-oxopropyl)but-3-enamide
CID 106164737
3-(Hex-5-en-2-ylamino)-2-hydroxypropanamide
CID 106170339
3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide
CID 106174286
3-(But-3-enylamino)-2-hydroxypropanamide
CID 106174364
2-Hydroxy-3-(2-methylidenebutylamino)propanamide
CID 106174392
2-Hydroxy-3-(2-methylprop-2-enylamino)propanamide
CID 106174619

Frequently Asked Questions

What is the IUPAC name of 3-(but-3-en-2-ylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(but-3-en-2-ylamino)-2-hydroxypropanamide (CID 106174427) is 3-(but-3-en-2-ylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(but-3-en-2-ylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(but-3-en-2-ylamino)-2-hydroxypropanamide is C=CC(C)NCC(O)C(N)=O.
What is the InChIKey of 3-(but-3-en-2-ylamino)-2-hydroxypropanamide?
The InChIKey is XQTNLFWOGVNTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-5(2)9-4-6(10)7(8)11/h3,5-6,9-10H,1,4H2,2H3,(H2,8,11).
What are the key properties of 3-(but-3-en-2-ylamino)-2-hydroxypropanamide?
3-(but-3-en-2-ylamino)-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-(but-3-en-2-ylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106174427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).