2-hydroxy-3-(2-methylprop-2-enylamino)propanamide

C7H14N2O2 — CID 106174619

IUPAC2-hydroxy-3-(2-methylprop-2-enylamino)propanamide
SMILESC=C(C)CNCC(O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-5(2)3-9-4-6(10)7(8)11/h6,9-10H,1,3-4H2,2H3,(H2,8,11)
InChIKeyQYKGFACMDCVTRQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.00
Rot. Bonds5

About 2-hydroxy-3-(2-methylprop-2-enylamino)propanamide

2-hydroxy-3-(2-methylprop-2-enylamino)propanamide (PubChem CID 106174619) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylprop-2-enylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylprop-2-enylamino)propanamide
PubChem CID106174619
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-hydroxy-3-(2-methylprop-2-enylamino)propanamide
SMILESC=C(C)CNCC(O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-5(2)3-9-4-6(10)7(8)11/h6,9-10H,1,3-4H2,2H3,(H2,8,11)
InChIKeyQYKGFACMDCVTRQ-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-(2-methylprop-2-en-1-yl)propanamide
CID 223418
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-methylbut-2-enyl)propanamide
CID 91067648
N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide
CID 149038162
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane
CID 162126107
3-amino-2-hydroxy-N-prop-2-enylpropanamide
CID 84107085
(2S)-2-hydroxy-N-(2-methylprop-2-enyl)propanamide
CID 92163344
(2R)-2-hydroxy-N-(2-methylprop-2-enyl)propanamide
CID 92332093
2-Hydroxy-3-(propylamino)propanamide
CID 106170619
2-Hydroxy-3-(2-methylpropylamino)propanamide
CID 106171104
3-(Ethylamino)-2-hydroxypropanamide
CID 106171121

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylprop-2-enylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(2-methylprop-2-enylamino)propanamide (CID 106174619) is 2-hydroxy-3-(2-methylprop-2-enylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(2-methylprop-2-enylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(2-methylprop-2-enylamino)propanamide is C=C(C)CNCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-(2-methylprop-2-enylamino)propanamide?
The InChIKey is QYKGFACMDCVTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(2)3-9-4-6(10)7(8)11/h6,9-10H,1,3-4H2,2H3,(H2,8,11).
What are the key properties of 2-hydroxy-3-(2-methylprop-2-enylamino)propanamide?
2-hydroxy-3-(2-methylprop-2-enylamino)propanamide 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 2-hydroxy-3-(2-methylprop-2-enylamino)propanamide is sourced from PubChem (CID 106174619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).