tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate

C10H19NO5 — CID 110144322

IUPACtert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11-5-4-6(12)8(14)7(5)13/h5-8,12-14H,4H2,1-3H3,(H,11,15)/t5-,6+,7-,8+/m1/s1
InChIKeyMVBZHAVXVQYPSO-CWKFCGSDSA-N
MW233.26 g/mol
LogP-0.63
Rot. Bonds1

About tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate

tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate (PubChem CID 110144322) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
PubChem CID110144322
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Nametert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11-5-4-6(12)8(14)7(5)13/h5-8,12-14H,4H2,1-3H3,(H,11,15)/t5-,6+,7-,8+/m1/s1
InChIKeyMVBZHAVXVQYPSO-CWKFCGSDSA-N
XLogP-0.63
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1R,3S,4S,5S,6S)-4,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 10634091
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
CID 126970282
(1S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 59781617
tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate
CID 15344114
tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189
trans-(3S,4S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 70039647
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate (CID 110144322) is tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate?
The InChIKey is MVBZHAVXVQYPSO-CWKFCGSDSA-N. The full InChI is InChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11-5-4-6(12)8(14)7(5)13/h5-8,12-14H,4H2,1-3H3,(H,11,15)/t5-,6+,7-,8+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate?
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate has a molecular weight of 233.26 g/mol, XLogP of -0.63, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate is sourced from PubChem (CID 110144322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).