tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate

C13H25NO3 — CID 59383028

IUPACtert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CC1CCCC1
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)8-10-6-4-5-7-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t11-/m0/s1
InChIKeyZLEBLWDLKHDYEW-NSHDSACASA-N
MW243.35 g/mol
LogP2.45
Rot. Bonds4

About tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate

tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate (PubChem CID 59383028) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
PubChem CID59383028
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CC1CCCC1
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)8-10-6-4-5-7-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t11-/m0/s1
InChIKeyZLEBLWDLKHDYEW-NSHDSACASA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
CID 68715214
tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[(2S,4S,5R)-1-cyclohexyl-4-hydroxy-5-propan-2-ylhept-6-en-2-yl]carbamate
CID 56988028
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927
tert-butyl N-[(2S,3S,4S,5S)-1,6-dicyclohexyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 15093368
methyl 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 4264602
tert-butyl N-[1-[[1-[(1-cyclohexyl-3-hydroxypropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 14212880
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate (CID 59383028) is tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)CC1CCCC1.
What is the InChIKey of tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate?
The InChIKey is ZLEBLWDLKHDYEW-NSHDSACASA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)8-10-6-4-5-7-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate has a molecular weight of 243.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 59383028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).