carbamic acid;prop-2-enoic acid;hydrate

C4H9NO5 — CID 174529556

IUPACcarbamic acid;prop-2-enoic acid;hydrate
SMILESC=CC(=O)O.NC(=O)O.O
InChIInChI=1S/C3H4O2.CH3NO2.H2O/c1-2-3(4)5;2-1(3)4;/h2H,1H2,(H,4,5);2H2,(H,3,4);1H2
InChIKeyMRCLFTVNUUSFNQ-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.94
Rot. Bonds1

About carbamic acid;prop-2-enoic acid;hydrate

carbamic acid;prop-2-enoic acid;hydrate (PubChem CID 174529556) has the molecular formula C4H9NO5 and a molecular weight of 151.12 g/mol. Its IUPAC name is carbamic acid;prop-2-enoic acid;hydrate.

Molecular Properties

Compound Namecarbamic acid;prop-2-enoic acid;hydrate
PubChem CID174529556
Molecular FormulaC4H9NO5
Molecular Weight151.12 g/mol
Exact Mass151.05
IUPAC Namecarbamic acid;prop-2-enoic acid;hydrate
SMILESC=CC(=O)O.NC(=O)O.O
InChIInChI=1S/C3H4O2.CH3NO2.H2O/c1-2-3(4)5;2-1(3)4;/h2H,1H2,(H,4,5);2H2,(H,3,4);1H2
InChIKeyMRCLFTVNUUSFNQ-UHFFFAOYSA-N
XLogP-0.94
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enoic acid;hexahydrate
CID 172682107
hydrazine;bis(prop-2-enoic acid)
CID 160974981
ethene;prop-2-enoic acid;hydrate
CID 174424399
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462
iron(2+);prop-2-enoic acid
CID 10290804
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hydrochloride
CID 22354205
Acrylic acid potassium salt
CID 87124626
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031

Frequently Asked Questions

What is the IUPAC name of carbamic acid;prop-2-enoic acid;hydrate?
The IUPAC name of carbamic acid;prop-2-enoic acid;hydrate (CID 174529556) is carbamic acid;prop-2-enoic acid;hydrate.
What is the SMILES notation for carbamic acid;prop-2-enoic acid;hydrate?
The canonical SMILES for carbamic acid;prop-2-enoic acid;hydrate is C=CC(=O)O.NC(=O)O.O.
What is the InChIKey of carbamic acid;prop-2-enoic acid;hydrate?
The InChIKey is MRCLFTVNUUSFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.CH3NO2.H2O/c1-2-3(4)5;2-1(3)4;/h2H,1H2,(H,4,5);2H2,(H,3,4);1H2.
What are the key properties of carbamic acid;prop-2-enoic acid;hydrate?
carbamic acid;prop-2-enoic acid;hydrate has a molecular weight of 151.12 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;prop-2-enoic acid;hydrate is sourced from PubChem (CID 174529556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).