(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide

C8H16N2O2 — CID 104869516

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCO)C(=O)[C@H](C)N
InChIInChI=1S/C8H16N2O2/c1-3-4-10(5-6-11)8(12)7(2)9/h3,7,11H,1,4-6,9H2,2H3/t7-/m0/s1
InChIKeyVCXBNOKIYPKYKL-ZETCQYMHSA-N
MW172.23 g/mol
LogP-0.66
Rot. Bonds5

About (2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide

(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide (PubChem CID 104869516) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
PubChem CID104869516
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCO)C(=O)[C@H](C)N
InChIInChI=1S/C8H16N2O2/c1-3-4-10(5-6-11)8(12)7(2)9/h3,7,11H,1,4-6,9H2,2H3/t7-/m0/s1
InChIKeyVCXBNOKIYPKYKL-ZETCQYMHSA-N
XLogP-0.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide
CID 119303350
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119303349
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide
CID 115775972
2-amino-N-(2-hydroxyethyl)-N-methylpropanamide
CID 56831806
N-(2-hydroxyethyl)-2-(4-methylphenoxy)-N-prop-2-enylpropanamide
CID 115775825
2-amino-4-methyl-N,N-bis(prop-2-enyl)pentanamide
CID 24700331
2-(carbamoylamino)-N-(2-hydroxyethyl)-4-methylsulfanyl-N-prop-2-enylbutanamide
CID 115775499
(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid
CID 104869582
2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
CID 112555851

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide (CID 104869516) is (2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide is C=CCN(CCO)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
The InChIKey is VCXBNOKIYPKYKL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-4-10(5-6-11)8(12)7(2)9/h3,7,11H,1,4-6,9H2,2H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide has a molecular weight of 172.23 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 104869516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).