tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate

C17H30N2O3 — CID 95986929

IUPACtert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate
SMILESCC(C)N(C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1
InChIInChI=1S/C17H30N2O3/c1-11(2)19(14-8-9-14)15(20)12-6-7-13(10-12)18-16(21)22-17(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyLIQOYYZWVUUFTJ-CHWSQXEVSA-N
MW310.44 g/mol
LogP3.08
Rot. Bonds4

About tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate

tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate (PubChem CID 95986929) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate
PubChem CID95986929
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate
SMILESCC(C)N(C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1
InChIInChI=1S/C17H30N2O3/c1-11(2)19(14-8-9-14)15(20)12-6-7-13(10-12)18-16(21)22-17(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,21)/t12-,13-/m1/s1
InChIKeyLIQOYYZWVUUFTJ-CHWSQXEVSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407
tert-butyl N-[(1S,3R)-3-(methylcarbamothioyl)cyclopentyl]carbamate
CID 59028664
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
CID 123825419
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719789

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate (CID 95986929) is tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate is CC(C)N(C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1.
What is the InChIKey of tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate?
The InChIKey is LIQOYYZWVUUFTJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-11(2)19(14-8-9-14)15(20)12-6-7-13(10-12)18-16(21)22-17(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,21)/t12-,13-/m1/s1.
What are the key properties of tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate?
tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3R)-3-[cyclopropyl(propan-2-yl)carbamoyl]cyclopentyl]carbamate is sourced from PubChem (CID 95986929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).