2-(but-3-enylamino)ethylcarbamic acid

C7H14N2O2 — CID 154941093

IUPAC2-(but-3-enylamino)ethylcarbamic acid
SMILESC=CCCNCCNC(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-3-4-8-5-6-9-7(10)11/h2,8-9H,1,3-6H2,(H,10,11)
InChIKeyPEOSTXXDBCKFSY-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.42
Rot. Bonds6

About 2-(but-3-enylamino)ethylcarbamic acid

2-(but-3-enylamino)ethylcarbamic acid (PubChem CID 154941093) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(but-3-enylamino)ethylcarbamic acid.

Molecular Properties

Compound Name2-(but-3-enylamino)ethylcarbamic acid
PubChem CID154941093
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(but-3-enylamino)ethylcarbamic acid
SMILESC=CCCNCCNC(=O)O
InChIInChI=1S/C7H14N2O2/c1-2-3-4-8-5-6-9-7(10)11/h2,8-9H,1,3-6H2,(H,10,11)
InChIKeyPEOSTXXDBCKFSY-UHFFFAOYSA-N
XLogP0.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(but-3-enylamino)ethylcarbamic acid?
The IUPAC name of 2-(but-3-enylamino)ethylcarbamic acid (CID 154941093) is 2-(but-3-enylamino)ethylcarbamic acid.
What is the SMILES notation for 2-(but-3-enylamino)ethylcarbamic acid?
The canonical SMILES for 2-(but-3-enylamino)ethylcarbamic acid is C=CCCNCCNC(=O)O.
What is the InChIKey of 2-(but-3-enylamino)ethylcarbamic acid?
The InChIKey is PEOSTXXDBCKFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-4-8-5-6-9-7(10)11/h2,8-9H,1,3-6H2,(H,10,11).
What are the key properties of 2-(but-3-enylamino)ethylcarbamic acid?
2-(but-3-enylamino)ethylcarbamic acid has a molecular weight of 158.20 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-enylamino)ethylcarbamic acid is sourced from PubChem (CID 154941093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).