methyl N-[(3S)-3-acetylcyclopentyl]carbamate

C9H15NO3 — CID 89494881

IUPACmethyl N-[(3S)-3-acetylcyclopentyl]carbamate
SMILESCOC(=O)NC1CC[C@H](C(C)=O)C1
InChIInChI=1S/C9H15NO3/c1-6(11)7-3-4-8(5-7)10-9(12)13-2/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8?/m0/s1
InChIKeyINHKMOHSLVJSAN-JAMMHHFISA-N
MW185.22 g/mol
LogP1.10
Rot. Bonds2

About methyl N-[(3S)-3-acetylcyclopentyl]carbamate

methyl N-[(3S)-3-acetylcyclopentyl]carbamate (PubChem CID 89494881) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl N-[(3S)-3-acetylcyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3S)-3-acetylcyclopentyl]carbamate
PubChem CID89494881
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl N-[(3S)-3-acetylcyclopentyl]carbamate
SMILESCOC(=O)NC1CC[C@H](C(C)=O)C1
InChIInChI=1S/C9H15NO3/c1-6(11)7-3-4-8(5-7)10-9(12)13-2/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8?/m0/s1
InChIKeyINHKMOHSLVJSAN-JAMMHHFISA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(3-acetylcyclopentyl)carbamate
CID 77342525
methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate
CID 89493028
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
methyl 3-acetamidocyclopentane-1-carboxylate
CID 67383463
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl N-(3-hydroxycyclohexyl)carbamate
CID 103626697
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3S)-3-acetylcyclopentyl]carbamate?
The IUPAC name of methyl N-[(3S)-3-acetylcyclopentyl]carbamate (CID 89494881) is methyl N-[(3S)-3-acetylcyclopentyl]carbamate.
What is the SMILES notation for methyl N-[(3S)-3-acetylcyclopentyl]carbamate?
The canonical SMILES for methyl N-[(3S)-3-acetylcyclopentyl]carbamate is COC(=O)NC1CC[C@H](C(C)=O)C1.
What is the InChIKey of methyl N-[(3S)-3-acetylcyclopentyl]carbamate?
The InChIKey is INHKMOHSLVJSAN-JAMMHHFISA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)7-3-4-8(5-7)10-9(12)13-2/h7-8H,3-5H2,1-2H3,(H,10,12)/t7-,8?/m0/s1.
What are the key properties of methyl N-[(3S)-3-acetylcyclopentyl]carbamate?
methyl N-[(3S)-3-acetylcyclopentyl]carbamate has a molecular weight of 185.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3S)-3-acetylcyclopentyl]carbamate is sourced from PubChem (CID 89494881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).