tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate

C14H26N2O5 — CID 71097600

IUPACtert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](C(N)=O)C[C@H]1OC(C)(C)O
InChIInChI=1S/C14H26N2O5/c1-13(2,3)21-12(18)16-9-6-8(11(15)17)7-10(9)20-14(4,5)19/h8-10,19H,6-7H2,1-5H3,(H2,15,17)(H,16,18)/t8-,9+,10+/m0/s1
InChIKeyDFSVUWRNJXHCCJ-IVZWLZJFSA-N
MW302.37 g/mol
LogP0.89
Rot. Bonds4

About tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate

tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate (PubChem CID 71097600) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate
PubChem CID71097600
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Nametert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](C(N)=O)C[C@H]1OC(C)(C)O
InChIInChI=1S/C14H26N2O5/c1-13(2,3)21-12(18)16-9-6-8(11(15)17)7-10(9)20-14(4,5)19/h8-10,19H,6-7H2,1-5H3,(H2,15,17)(H,16,18)/t8-,9+,10+/m0/s1
InChIKeyDFSVUWRNJXHCCJ-IVZWLZJFSA-N
XLogP0.89
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate
CID 123706193
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
(1R,3S,4S)-3-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 146636334
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 83919551
cis-ethyl (3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trideuteriomethoxy)cyclopentane-1-carboxylate
CID 170581018
(1S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 59781617
tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate
CID 143194113
(1S,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 59284760
methyl (1S,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 2734526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate (CID 71097600) is tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(N)=O)C[C@H]1OC(C)(C)O.
What is the InChIKey of tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate?
The InChIKey is DFSVUWRNJXHCCJ-IVZWLZJFSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-13(2,3)21-12(18)16-9-6-8(11(15)17)7-10(9)20-14(4,5)19/h8-10,19H,6-7H2,1-5H3,(H2,15,17)(H,16,18)/t8-,9+,10+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate?
tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate has a molecular weight of 302.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate is sourced from PubChem (CID 71097600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).