prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate

C9H16N2O4 — CID 24864950

IUPACprop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate
SMILESC=CCOC(=O)CNC(=O)[C@H](N)COC
InChIInChI=1S/C9H16N2O4/c1-3-4-15-8(12)5-11-9(13)7(10)6-14-2/h3,7H,1,4-6,10H2,2H3,(H,11,13)/t7-/m1/s1
InChIKeySVRLYCPKGAZJRE-SSDOTTSWSA-N
MW216.24 g/mol
LogP-1.19
Rot. Bonds7

About prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate

prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate (PubChem CID 24864950) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate
PubChem CID24864950
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nameprop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate
SMILESC=CCOC(=O)CNC(=O)[C@H](N)COC
InChIInChI=1S/C9H16N2O4/c1-3-4-15-8(12)5-11-9(13)7(10)6-14-2/h3,7H,1,4-6,10H2,2H3,(H,11,13)/t7-/m1/s1
InChIKeySVRLYCPKGAZJRE-SSDOTTSWSA-N
XLogP-1.19
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2S)-2-azaniumyl-3-(2-methylprop-2-enoyloxy)propanoyl]amino]-3-(2-methylprop-2-enoyloxy)propanoate
CID 164671299
O-allyl L-seryl glycine methyl ester trifluoroacetate
CID 86671357
prop-2-enyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 14259768
prop-2-enyl (2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]propanoate
CID 16070369
(2S)-2-[[2-[[(2S)-2-azaniumyl-3-(2-methylprop-2-enoyloxy)propanoyl]amino]acetyl]amino]-3-(2-methylprop-2-enoyloxy)propanoate
CID 164671312
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
Alanylalanine, N,N'-dimethyl-N'-allyloxycarbonyl-, allyl ester
CID 91717713
Prop-2-enyl 3-(methoxymethyl)-5-oxopiperazine-1-carboxylate
CID 9859395
Prop-2-enyl 2-(2-aminopropanoylamino)propanoate
CID 14259766
[3-[[2-(2-Methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
CID 20643844
[3-[[1-[2-(Dimethylamino)ethoxy]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659230
2-(Dimethylamino)ethyl 2-(3-prop-2-enoyloxypropanoylamino)propanoate
CID 20659231

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate?
The IUPAC name of prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate (CID 24864950) is prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate.
What is the SMILES notation for prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate?
The canonical SMILES for prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate is C=CCOC(=O)CNC(=O)[C@H](N)COC.
What is the InChIKey of prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate?
The InChIKey is SVRLYCPKGAZJRE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-3-4-15-8(12)5-11-9(13)7(10)6-14-2/h3,7H,1,4-6,10H2,2H3,(H,11,13)/t7-/m1/s1.
What are the key properties of prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate?
prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate has a molecular weight of 216.24 g/mol, XLogP of -1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[[(2R)-2-amino-3-methoxypropanoyl]amino]acetate is sourced from PubChem (CID 24864950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).