2-hydroxypropyl carbamate;2-methylprop-2-enoic acid

C8H15NO5 — CID 19939665

IUPAC2-hydroxypropyl carbamate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(O)COC(N)=O
InChIInChI=1S/C4H9NO3.C4H6O2/c1-3(6)2-8-4(5)7;1-3(2)4(5)6/h3,6H,2H2,1H3,(H2,5,7);1H2,2H3,(H,5,6)
InChIKeyARUOAHRWGNKURN-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.11
Rot. Bonds3

About 2-hydroxypropyl carbamate;2-methylprop-2-enoic acid

2-hydroxypropyl carbamate;2-methylprop-2-enoic acid (PubChem CID 19939665) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxypropyl carbamate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-hydroxypropyl carbamate;2-methylprop-2-enoic acid
PubChem CID19939665
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-hydroxypropyl carbamate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(O)COC(N)=O
InChIInChI=1S/C4H9NO3.C4H6O2/c1-3(6)2-8-4(5)7;1-3(2)4(5)6/h3,6H,2H2,1H3,(H2,5,7);1H2,2H3,(H,5,6)
InChIKeyARUOAHRWGNKURN-UHFFFAOYSA-N
XLogP0.11
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
2-methylprop-2-enoic acid;hexakis(propane-1,2-diol)
CID 172778352
bis(2-methylprop-2-enoic acid);tetrakis(propane-1,2-diol)
CID 173141679
2-(2-hydroxypropoxy)propan-1-ol;bis(2-methylprop-2-enoic acid)
CID 57347913
2-(2-hydroxypropoxy)propan-1-ol;2-methylprop-2-enoic acid;bis(propane-1,2-diol)
CID 175032657
1-prop-1-en-2-yloxypropan-2-ol
CID 15051326
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
2-hydroxypropyl acetate;mercury
CID 174858394
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl carbamate;2-methylprop-2-enoic acid?
The IUPAC name of 2-hydroxypropyl carbamate;2-methylprop-2-enoic acid (CID 19939665) is 2-hydroxypropyl carbamate;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-hydroxypropyl carbamate;2-methylprop-2-enoic acid?
The canonical SMILES for 2-hydroxypropyl carbamate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC(O)COC(N)=O.
What is the InChIKey of 2-hydroxypropyl carbamate;2-methylprop-2-enoic acid?
The InChIKey is ARUOAHRWGNKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.C4H6O2/c1-3(6)2-8-4(5)7;1-3(2)4(5)6/h3,6H,2H2,1H3,(H2,5,7);1H2,2H3,(H,5,6).
What are the key properties of 2-hydroxypropyl carbamate;2-methylprop-2-enoic acid?
2-hydroxypropyl carbamate;2-methylprop-2-enoic acid has a molecular weight of 205.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl carbamate;2-methylprop-2-enoic acid is sourced from PubChem (CID 19939665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).