1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate

C9H15NO6 — CID 141386439

IUPAC1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NC(=O)OC(O)(O)CC
InChIInChI=1S/C9H15NO6/c1-4-7(11)15-6(3)10-8(12)16-9(13,14)5-2/h4,6,13-14H,1,5H2,2-3H3,(H,10,12)
InChIKeySLNHGOXDGVERDO-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.16
Rot. Bonds5

About 1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate

1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate (PubChem CID 141386439) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate
PubChem CID141386439
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)NC(=O)OC(O)(O)CC
InChIInChI=1S/C9H15NO6/c1-4-7(11)15-6(3)10-8(12)16-9(13,14)5-2/h4,6,13-14H,1,5H2,2-3H3,(H,10,12)
InChIKeySLNHGOXDGVERDO-UHFFFAOYSA-N
XLogP-0.16
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(carbamoylamino)ethyl prop-2-enoate
CID 22146186
1-(ethylidenecarbamoylamino)ethyl prop-2-enoate
CID 174667528
1-(2,2-dimethylpropylamino)ethyl prop-2-enoate
CID 22901740
(2-amino-3-hydroxypentan-3-yl) prop-2-enoate
CID 154432849
CID 172734708
CID 172734708
(2-ethyl-1-hydroxy-2-methylbutyl) prop-2-enoate
CID 154606970
3,3,4,4-tetrafluorohexan-2-yl prop-2-enoate
CID 141398863
(4-amino-4-ethylhexan-2-yl) prop-2-enoate
CID 175405192
1-(propylcarbamoyloxy)ethyl prop-2-enoate
CID 155100969
tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate
CID 14541319
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-[(2-methyl-5-propan-2-ylphenoxy)carbonylamino]ethyl prop-2-enoate
CID 89069181

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate?
The IUPAC name of 1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate (CID 141386439) is 1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate.
What is the SMILES notation for 1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate?
The canonical SMILES for 1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate is C=CC(=O)OC(C)NC(=O)OC(O)(O)CC.
What is the InChIKey of 1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate?
The InChIKey is SLNHGOXDGVERDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c1-4-7(11)15-6(3)10-8(12)16-9(13,14)5-2/h4,6,13-14H,1,5H2,2-3H3,(H,10,12).
What are the key properties of 1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate?
1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate has a molecular weight of 233.22 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dihydroxypropoxycarbonylamino)ethyl prop-2-enoate is sourced from PubChem (CID 141386439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).