[2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid

C18H27FN2O2 — CID 67338341

IUPAC[2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
SMILESCC(C)(C)NC1CCCC1N(CCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C18H27FN2O2/c1-18(2,3)20-15-8-5-9-16(15)21(17(22)23)11-10-13-6-4-7-14(19)12-13/h4,6-7,12,15-16,20H,5,8-11H2,1-3H3,(H,22,23)
InChIKeyPRVQJCPGQTWBHQ-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.66
Rot. Bonds5

About [2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid

[2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid (PubChem CID 67338341) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is [2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
PubChem CID67338341
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name[2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
SMILESCC(C)(C)NC1CCCC1N(CCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C18H27FN2O2/c1-18(2,3)20-15-8-5-9-16(15)21(17(22)23)11-10-13-6-4-7-14(19)12-13/h4,6-7,12,15-16,20H,5,8-11H2,1-3H3,(H,22,23)
InChIKeyPRVQJCPGQTWBHQ-UHFFFAOYSA-N
XLogP3.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-2-aminocyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 69165945
N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119821577
4-[[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024382
2-[cyclopentyl-[2-(3-fluorophenyl)ethyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056065
4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
CID 115157141
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
CID 83855515
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 108901132
2-(cyclohexylamino)-3-(3-fluorophenyl)-2-methylpropanoic acid
CID 114832131
1-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246649
[3-[cyclohexyl(2,2-dimethoxyethyl)amino]-3-oxopropyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 67545880
N-[2-(aminomethyl)cyclopentyl]-4-(3-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119600994

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid?
The IUPAC name of [2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid (CID 67338341) is [2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid.
What is the SMILES notation for [2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid?
The canonical SMILES for [2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid is CC(C)(C)NC1CCCC1N(CCc1cccc(F)c1)C(=O)O.
What is the InChIKey of [2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid?
The InChIKey is PRVQJCPGQTWBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-18(2,3)20-15-8-5-9-16(15)21(17(22)23)11-10-13-6-4-7-14(19)12-13/h4,6-7,12,15-16,20H,5,8-11H2,1-3H3,(H,22,23).
What are the key properties of [2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid?
[2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid has a molecular weight of 322.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)cyclopentyl]-[2-(3-fluorophenyl)ethyl]carbamic acid is sourced from PubChem (CID 67338341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).