propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate

C8H13NO4 — CID 18997975

IUPACpropan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(O)C(=O)OC(C)C
InChIInChI=1S/C8H13NO4/c1-4-6(10)9-7(11)8(12)13-5(2)3/h4-5,7,11H,1H2,2-3H3,(H,9,10)
InChIKeyUGAVZOBQIISJRR-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.44
Rot. Bonds4

About propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate

propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate (PubChem CID 18997975) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
PubChem CID18997975
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namepropan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(O)C(=O)OC(C)C
InChIInChI=1S/C8H13NO4/c1-4-6(10)9-7(11)8(12)13-5(2)3/h4-5,7,11H,1H2,2-3H3,(H,9,10)
InChIKeyUGAVZOBQIISJRR-UHFFFAOYSA-N
XLogP-0.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methoxymethane;propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997974
ethyl 2-hydroxy-2-(prop-2-enoylamino)acetate;methoxymethane
CID 18997976
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
(2R)-2-hydroxy-2-(prop-2-enoylamino)acetate
CID 6931091
sodium N-propan-2-ylprop-2-enamide
CID 19004870
N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate
CID 11644004
3-propan-2-yloxypenta-1,3-diene
CID 123296318
N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
CID 175039134
[2-hydroxy-1-(prop-2-enoylamino)propyl]-trimethylazanium
CID 19836216
[2-hydroxy-1-(prop-2-enoylamino)propyl]-trimethylazanium chloride
CID 19836215

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate?
The IUPAC name of propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate (CID 18997975) is propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate.
What is the SMILES notation for propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate?
The canonical SMILES for propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate is C=CC(=O)NC(O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate?
The InChIKey is UGAVZOBQIISJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-4-6(10)9-7(11)8(12)13-5(2)3/h4-5,7,11H,1H2,2-3H3,(H,9,10).
What are the key properties of propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate?
propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate has a molecular weight of 187.19 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate is sourced from PubChem (CID 18997975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).