methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate

C9H17NO3 — CID 59033010

IUPACmethyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate
SMILESCOC(=O)N[C@@H]1C[C@H](CO)[C@@H](C)C1
InChIInChI=1S/C9H17NO3/c1-6-3-8(4-7(6)5-11)10-9(12)13-2/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t6-,7+,8-/m0/s1
InChIKeyBWDMAXRZCORXFY-RNJXMRFFSA-N
MW187.24 g/mol
LogP0.75
Rot. Bonds2

About methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate

methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate (PubChem CID 59033010) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate
PubChem CID59033010
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate
SMILESCOC(=O)N[C@@H]1C[C@H](CO)[C@@H](C)C1
InChIInChI=1S/C9H17NO3/c1-6-3-8(4-7(6)5-11)10-9(12)13-2/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t6-,7+,8-/m0/s1
InChIKeyBWDMAXRZCORXFY-RNJXMRFFSA-N
XLogP0.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid
CID 174621376
tert-butyl N-[(1R,3R,4S)-3-(hydroxymethyl)-4-tri(propan-2-yl)silyloxycyclopentyl]carbamate
CID 131745477
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
methyl N-[(3S)-3-acetylcyclopentyl]carbamate
CID 89494881
methyl N-(3-acetylcyclopentyl)carbamate
CID 77342525
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
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-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate?
The IUPAC name of methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate (CID 59033010) is methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate.
What is the SMILES notation for methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate?
The canonical SMILES for methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate is COC(=O)N[C@@H]1C[C@H](CO)[C@@H](C)C1.
What is the InChIKey of methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate?
The InChIKey is BWDMAXRZCORXFY-RNJXMRFFSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6-3-8(4-7(6)5-11)10-9(12)13-2/h6-8,11H,3-5H2,1-2H3,(H,10,12)/t6-,7+,8-/m0/s1.
What are the key properties of methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate?
methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate has a molecular weight of 187.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-methylcyclopentyl]carbamate is sourced from PubChem (CID 59033010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).