3-(but-3-enylamino)-2-hydroxypropanamide

C7H14N2O2 — CID 106174364

IUPAC3-(but-3-enylamino)-2-hydroxypropanamide
SMILESC=CCCNCC(O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-4-9-5-6(10)7(8)11/h2,6,9-10H,1,3-5H2,(H2,8,11)
InChIKeyWQVUTCQKGNCFQX-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.00
Rot. Bonds6

About 3-(but-3-enylamino)-2-hydroxypropanamide

3-(but-3-enylamino)-2-hydroxypropanamide (PubChem CID 106174364) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(but-3-enylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(but-3-enylamino)-2-hydroxypropanamide
PubChem CID106174364
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-(but-3-enylamino)-2-hydroxypropanamide
SMILESC=CCCNCC(O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-4-9-5-6(10)7(8)11/h2,6,9-10H,1,3-5H2,(H2,8,11)
InChIKeyWQVUTCQKGNCFQX-UHFFFAOYSA-N
XLogP-1.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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,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-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 147004799
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane
CID 162126107
2-hydroxy-N-[(2S)-2-hydroxybut-3-enyl]acetamide
CID 169641334
(2S)-2-hydroxy-N-prop-2-enylbut-3-enamide
CID 173004371
N-(2-hydroxypropyl)but-3-enamide
CID 62677593
N-[(2S)-2-hydroxypropyl]but-3-enamide
CID 83058320
N-[(2R)-2-hydroxypropyl]but-3-enamide
CID 83059459
3-amino-2-hydroxy-N-prop-2-enylpropanamide
CID 84107085
N-(3-amino-2-hydroxy-3-oxopropyl)but-3-enamide
CID 106164737

Frequently Asked Questions

What is the IUPAC name of 3-(but-3-enylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(but-3-enylamino)-2-hydroxypropanamide (CID 106174364) is 3-(but-3-enylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(but-3-enylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(but-3-enylamino)-2-hydroxypropanamide is C=CCCNCC(O)C(N)=O.
What is the InChIKey of 3-(but-3-enylamino)-2-hydroxypropanamide?
The InChIKey is WQVUTCQKGNCFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-4-9-5-6(10)7(8)11/h2,6,9-10H,1,3-5H2,(H2,8,11).
What are the key properties of 3-(but-3-enylamino)-2-hydroxypropanamide?
3-(but-3-enylamino)-2-hydroxypropanamide has a molecular weight of 158.20 g/mol, XLogP of -1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-enylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106174364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).