[2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid

C11H21FN2O2 — CID 67191458

IUPAC[2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid
SMILESCN(CC(N)CC1(F)CCCCC1)C(=O)O
InChIInChI=1S/C11H21FN2O2/c1-14(10(15)16)8-9(13)7-11(12)5-3-2-4-6-11/h9H,2-8,13H2,1H3,(H,15,16)
InChIKeyLEQSCMYWRKIUPQ-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.99
Rot. Bonds4

About [2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid

[2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid (PubChem CID 67191458) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is [2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid
PubChem CID67191458
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name[2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid
SMILESCN(CC(N)CC1(F)CCCCC1)C(=O)O
InChIInChI=1S/C11H21FN2O2/c1-14(10(15)16)8-9(13)7-11(12)5-3-2-4-6-11/h9H,2-8,13H2,1H3,(H,15,16)
InChIKeyLEQSCMYWRKIUPQ-UHFFFAOYSA-N
XLogP1.99
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid?
The IUPAC name of [2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid (CID 67191458) is [2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid.
What is the SMILES notation for [2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid?
The canonical SMILES for [2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid is CN(CC(N)CC1(F)CCCCC1)C(=O)O.
What is the InChIKey of [2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid?
The InChIKey is LEQSCMYWRKIUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-14(10(15)16)8-9(13)7-11(12)5-3-2-4-6-11/h9H,2-8,13H2,1H3,(H,15,16).
What are the key properties of [2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid?
[2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid has a molecular weight of 232.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid is sourced from PubChem (CID 67191458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).