(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid

C10H17NO5 — CID 174950031

IUPAC(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)OCC(O)CN
InChIInChI=1S/C6H11NO3.C4H6O2/c1-2-6(9)10-4-5(8)3-7;1-3(2)4(5)6/h2,5,8H,1,3-4,7H2;1H2,2H3,(H,5,6)
InChIKeyVRQQERSOWBNDCX-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.32
Rot. Bonds5

About (3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid

(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 174950031) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
PubChem CID174950031
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)OCC(O)CN
InChIInChI=1S/C6H11NO3.C4H6O2/c1-2-6(9)10-4-5(8)3-7;1-3(2)4(5)6/h2,5,8H,1,3-4,7H2;1H2,2H3,(H,5,6)
InChIKeyVRQQERSOWBNDCX-UHFFFAOYSA-N
XLogP-0.32
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158771008
2-methylprop-2-enoic acid;[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] prop-2-enoate
CID 162063074
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
CID 160685557
(3-buta-1,3-dien-2-yloxy-2-hydroxypropyl) prop-2-enoate
CID 176752228
(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
[2-hydroxy-3-[(Z)-1-hydroxy-2,3-dimethylbut-1-enoxy]propyl] prop-2-enoate
CID 173498844
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
(Z)-4-(2-hydroxy-3-prop-2-enoyloxypropoxy)-4-oxobut-2-enoic acid
CID 90382332
2,2-dimethylpropyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158445873

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of (3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid (CID 174950031) is (3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for (3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for (3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)OCC(O)CN.
What is the InChIKey of (3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is VRQQERSOWBNDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C4H6O2/c1-2-6(9)10-4-5(8)3-7;1-3(2)4(5)6/h2,5,8H,1,3-4,7H2;1H2,2H3,(H,5,6).
What are the key properties of (3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid?
(3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxypropyl) prop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 174950031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).