2-(oxan-4-ylamino)ethylcarbamic acid

C8H16N2O3 — CID 68665690

IUPAC2-(oxan-4-ylamino)ethylcarbamic acid
SMILESO=C(O)NCCNC1CCOCC1
InChIInChI=1S/C8H16N2O3/c11-8(12)10-4-3-9-7-1-5-13-6-2-7/h7,9-10H,1-6H2,(H,11,12)
InChIKeyWLOLWJHQJOHUFQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.02
Rot. Bonds4

About 2-(oxan-4-ylamino)ethylcarbamic acid

2-(oxan-4-ylamino)ethylcarbamic acid (PubChem CID 68665690) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(oxan-4-ylamino)ethylcarbamic acid.

Molecular Properties

Compound Name2-(oxan-4-ylamino)ethylcarbamic acid
PubChem CID68665690
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-(oxan-4-ylamino)ethylcarbamic acid
SMILESO=C(O)NCCNC1CCOCC1
InChIInChI=1S/C8H16N2O3/c11-8(12)10-4-3-9-7-1-5-13-6-2-7/h7,9-10H,1-6H2,(H,11,12)
InChIKeyWLOLWJHQJOHUFQ-UHFFFAOYSA-N
XLogP0.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
CID 115221048
N-(2-fluoroethyl)oxan-4-amine
CID 80694353
N-propyloxan-4-amine
CID 18348908
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
4-[2-(oxan-4-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 115149138
2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
CID 79624339
1-[(oxan-4-ylamino)methyl]cyclopropane-1-carboxylic acid
CID 115242782
(E)-4-(oxan-4-ylamino)but-2-enoic acid
CID 103239318
4-[(oxan-4-ylamino)methyl]benzoic acid
CID 55049124
3-(oxan-4-ylamino)propane-1-thiol
CID 115224666
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylamino)ethylcarbamic acid?
The IUPAC name of 2-(oxan-4-ylamino)ethylcarbamic acid (CID 68665690) is 2-(oxan-4-ylamino)ethylcarbamic acid.
What is the SMILES notation for 2-(oxan-4-ylamino)ethylcarbamic acid?
The canonical SMILES for 2-(oxan-4-ylamino)ethylcarbamic acid is O=C(O)NCCNC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylamino)ethylcarbamic acid?
The InChIKey is WLOLWJHQJOHUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c11-8(12)10-4-3-9-7-1-5-13-6-2-7/h7,9-10H,1-6H2,(H,11,12).
What are the key properties of 2-(oxan-4-ylamino)ethylcarbamic acid?
2-(oxan-4-ylamino)ethylcarbamic acid has a molecular weight of 188.23 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylamino)ethylcarbamic acid is sourced from PubChem (CID 68665690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).