(2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide

C8H15NO3 — CID 143154091

IUPAC(2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C)C(=O)[C@H](O)[C@H](C)O
InChIInChI=1S/C8H15NO3/c1-4-5-9(3)8(12)7(11)6(2)10/h4,6-7,10-11H,1,5H2,2-3H3/t6-,7+/m0/s1
InChIKeyRNKOTXXPZIHEMT-NKWVEPMBSA-N
MW173.21 g/mol
LogP-0.63
Rot. Bonds4

About (2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide

(2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide (PubChem CID 143154091) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name(2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide
PubChem CID143154091
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C)C(=O)[C@H](O)[C@H](C)O
InChIInChI=1S/C8H15NO3/c1-4-5-9(3)8(12)7(11)6(2)10/h4,6-7,10-11H,1,5H2,2-3H3/t6-,7+/m0/s1
InChIKeyRNKOTXXPZIHEMT-NKWVEPMBSA-N
XLogP-0.63
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.63
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

N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
propan-2-yl N-methyl-N-prop-2-enylcarbamate
CID 116657045
N,2-dihydroxy-N-prop-2-enylpropanamide
CID 175330180
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
2-[methyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 71699730
1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
2-fluoro-N-methyl-N-prop-2-enylprop-2-enamide
CID 139381351
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
(2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid
CID 57352985
2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide
CID 143479140
2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide
CID 14248676

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide?
The IUPAC name of (2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide (CID 143154091) is (2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for (2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for (2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide is C=CCN(C)C(=O)[C@H](O)[C@H](C)O.
What is the InChIKey of (2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide?
The InChIKey is RNKOTXXPZIHEMT-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-5-9(3)8(12)7(11)6(2)10/h4,6-7,10-11H,1,5H2,2-3H3/t6-,7+/m0/s1.
What are the key properties of (2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide?
(2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide has a molecular weight of 173.21 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 143154091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).