tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate

C15H28N2O3 — CID 67358949

IUPACtert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1NC1CCCC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-13-10-19-9-8-12(13)16-11-6-4-5-7-11/h11-13,16H,4-10H2,1-3H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyUNFLIIDZUJDTMW-STQMWFEESA-N
MW284.40 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate

tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate (PubChem CID 67358949) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
PubChem CID67358949
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1NC1CCCC1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-13-10-19-9-8-12(13)16-11-6-4-5-7-11/h11-13,16H,4-10H2,1-3H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyUNFLIIDZUJDTMW-STQMWFEESA-N
XLogP2.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
CID 79462192
tert-butyl N-[(3S,4R)-4-formyloxan-3-yl]carbamate
CID 59094980
tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate
CID 80562358
tert-butyl N-[2-(azepan-4-ylamino)cycloheptyl]carbamate
CID 107244081
tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate
CID 67358967
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[(3R,4S)-4-cyanooxan-3-yl]carbamate
CID 171441505
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 121422057
benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate (CID 67358949) is tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1NC1CCCC1.
What is the InChIKey of tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate?
The InChIKey is UNFLIIDZUJDTMW-STQMWFEESA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-13-10-19-9-8-12(13)16-11-6-4-5-7-11/h11-13,16H,4-10H2,1-3H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate?
tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-4-(cyclopentylamino)oxan-3-yl]carbamate is sourced from PubChem (CID 67358949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).