2-(ethoxycarbonylamino)prop-2-enoic acid;polane

C6H11NO4Po — CID 173396232

IUPAC2-(ethoxycarbonylamino)prop-2-enoic acid;polane
SMILESC=C(NC(=O)OCC)C(=O)O.[PoH2]
InChIInChI=1S/C6H9NO4.Po.2H/c1-3-11-6(10)7-4(2)5(8)9;;;/h2-3H2,1H3,(H,7,10)(H,8,9);;;
InChIKeyBIEKZNHDTFYQSO-UHFFFAOYSA-N
MW370.16 g/mol
LogP-0.59
Rot. Bonds3

About 2-(ethoxycarbonylamino)prop-2-enoic acid;polane

2-(ethoxycarbonylamino)prop-2-enoic acid;polane (PubChem CID 173396232) has the molecular formula C6H11NO4Po and a molecular weight of 370.16 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)prop-2-enoic acid;polane.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)prop-2-enoic acid;polane
PubChem CID173396232
Molecular FormulaC6H11NO4Po
Molecular Weight370.16 g/mol
Exact Mass370.05
IUPAC Name2-(ethoxycarbonylamino)prop-2-enoic acid;polane
SMILESC=C(NC(=O)OCC)C(=O)O.[PoH2]
InChIInChI=1S/C6H9NO4.Po.2H/c1-3-11-6(10)7-4(2)5(8)9;;;/h2-3H2,1H3,(H,7,10)(H,8,9);;;
InChIKeyBIEKZNHDTFYQSO-UHFFFAOYSA-N
XLogP-0.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.16
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
N-ethoxycarbonylcarbamothioate
CID 19787554
ethyl N-[2-(ethoxymethyl)prop-2-enoyl]carbamate
CID 141383957
(Z)-2-(ethoxycarbonylamino)-4-[hydroxy(methyl)phosphoryl]but-2-enoic acid
CID 89147423
(Z)-3-ethoxy-2-(ethoxycarbonylcarbamoyl)prop-2-enoic acid
CID 118092145
ethyl N-methylcarbamate;formaldehyde
CID 160650405
CID 91152556
CID 91152556
ethyl N-hydroxycarbamate
CID 11510
ethyl N-but-3-enoxycarbonylcarbamate
CID 15307637
ethyl N-(methylcarbamothioyl)carbamate
CID 45032345
ethyl 2-(ethoxycarbonylamino)but-2-enoate
CID 174562538
CID 88818502
CID 88818502

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbonylamino)prop-2-enoic acid;polane?
The IUPAC name of 2-(ethoxycarbonylamino)prop-2-enoic acid;polane (CID 173396232) is 2-(ethoxycarbonylamino)prop-2-enoic acid;polane.
What is the SMILES notation for 2-(ethoxycarbonylamino)prop-2-enoic acid;polane?
The canonical SMILES for 2-(ethoxycarbonylamino)prop-2-enoic acid;polane is C=C(NC(=O)OCC)C(=O)O.[PoH2].
What is the InChIKey of 2-(ethoxycarbonylamino)prop-2-enoic acid;polane?
The InChIKey is BIEKZNHDTFYQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4.Po.2H/c1-3-11-6(10)7-4(2)5(8)9;;;/h2-3H2,1H3,(H,7,10)(H,8,9);;;.
What are the key properties of 2-(ethoxycarbonylamino)prop-2-enoic acid;polane?
2-(ethoxycarbonylamino)prop-2-enoic acid;polane has a molecular weight of 370.16 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)prop-2-enoic acid;polane is sourced from PubChem (CID 173396232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).