methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate

C7H13NO2 — CID 142360697

IUPACmethyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate
SMILES[2H]/C=C/CN[C@@H](C)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-5-8-6(2)7(9)10-3/h4,6,8H,1,5H2,2-3H3/t6-/m0/s1/i1D/b4-1+
InChIKeyBZBVVLTTYUDWGR-SZKKXNIOSA-N
MW144.19 g/mol
LogP0.32
Rot. Bonds4

About methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate

methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate (PubChem CID 142360697) has the molecular formula C7H13NO2 and a molecular weight of 144.19 g/mol. Its IUPAC name is methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate
PubChem CID142360697
Molecular FormulaC7H13NO2
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Namemethyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate
SMILES[2H]/C=C/CN[C@@H](C)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-5-8-6(2)7(9)10-3/h4,6,8H,1,5H2,2-3H3/t6-/m0/s1/i1D/b4-1+
InChIKeyBZBVVLTTYUDWGR-SZKKXNIOSA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate
CID 106931964
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CID 150482479
methyl 2-(3-phenylprop-2-enylamino)propanoate
CID 78989064
methyl (2S)-2-(fluoroamino)propanoate
CID 141384142
N-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
methyl (2S)-2-(2-ethylbutylamino)propanoate
CID 43723607
benzyl (2S)-2-(prop-2-enylamino)propanoate
CID 10922005
methyl 2-[[(E)-4-diethoxyphosphorylbut-2-enyl]amino]propanoate
CID 19801597
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one
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methyl (2S)-2-(3,3-dimethylbutylamino)propanoate
CID 54129426

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate?
The IUPAC name of methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate (CID 142360697) is methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate is [2H]/C=C/CN[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate?
The InChIKey is BZBVVLTTYUDWGR-SZKKXNIOSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-8-6(2)7(9)10-3/h4,6,8H,1,5H2,2-3H3/t6-/m0/s1/i1D/b4-1+.
What are the key properties of methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate?
methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate has a molecular weight of 144.19 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3-deuterioprop-2-enylamino)propanoate is sourced from PubChem (CID 142360697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).