[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate

C12H21NO4 — CID 141204267

IUPAC[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
SMILESCC(=O)O[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-8(14)16-10-6-5-9(7-10)13-11(15)17-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)/t9-,10-/m0/s1
InChIKeySJPDVIOPSKNAJB-UWVGGRQHSA-N
MW243.30 g/mol
LogP2.00
Rot. Bonds2

About [(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate

[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate (PubChem CID 141204267) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is [(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate.

Molecular Properties

Compound Name[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
PubChem CID141204267
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
SMILESCC(=O)O[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-8(14)16-10-6-5-9(7-10)13-11(15)17-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)/t9-,10-/m0/s1
InChIKeySJPDVIOPSKNAJB-UWVGGRQHSA-N
XLogP2.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohept-3-en-1-yl] acetate
CID 11369222
5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid
CID 118595314
tert-butyl N-(3-prop-1-en-2-yloxycyclobutyl)carbamate
CID 163950000
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-(3-sulfinooxycyclobutyl)carbamate
CID 146249113
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl acetate
CID 175325980
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate?
The IUPAC name of [(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate (CID 141204267) is [(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate.
What is the SMILES notation for [(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate?
The canonical SMILES for [(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate is CC(=O)O[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of [(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate?
The InChIKey is SJPDVIOPSKNAJB-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(14)16-10-6-5-9(7-10)13-11(15)17-12(2,3)4/h9-10H,5-7H2,1-4H3,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of [(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate?
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate has a molecular weight of 243.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate is sourced from PubChem (CID 141204267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).