tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid

C12H22F2N2O2 — CID 67084944

IUPACtert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC1CCC(F)(F)C1)C(=O)O
InChIInChI=1S/C12H22F2N2O2/c1-11(2,3)16(10(17)18)7-6-15-9-4-5-12(13,14)8-9/h9,15H,4-8H2,1-3H3,(H,17,18)
InChIKeyPGHFSNXXCXODLB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.54
Rot. Bonds4

About tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid

tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid (PubChem CID 67084944) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid
PubChem CID67084944
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Nametert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC1CCC(F)(F)C1)C(=O)O
InChIInChI=1S/C12H22F2N2O2/c1-11(2,3)16(10(17)18)7-6-15-9-4-5-12(13,14)8-9/h9,15H,4-8H2,1-3H3,(H,17,18)
InChIKeyPGHFSNXXCXODLB-UHFFFAOYSA-N
XLogP2.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid (CID 67084944) is tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid is CC(C)(C)N(CCNC1CCC(F)(F)C1)C(=O)O.
What is the InChIKey of tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid?
The InChIKey is PGHFSNXXCXODLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-11(2,3)16(10(17)18)7-6-15-9-4-5-12(13,14)8-9/h9,15H,4-8H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid?
tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid has a molecular weight of 264.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(3,3-difluorocyclopentyl)amino]ethyl]carbamic acid is sourced from PubChem (CID 67084944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).