butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate

C10H19NO3 — CID 160683329

IUPACbutyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate
SMILESCCCCOC(=O)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H19NO3/c1-2-3-7-14-10(13)11-8-5-4-6-9(8)12/h8-9,12H,2-7H2,1H3,(H,11,13)/t8-,9-/m0/s1
InChIKeyROKZUURIHPVEEK-IUCAKERBSA-N
MW201.27 g/mol
LogP1.43
Rot. Bonds4

About butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate

butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate (PubChem CID 160683329) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate.

Molecular Properties

Compound Namebutyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate
PubChem CID160683329
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namebutyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate
SMILESCCCCOC(=O)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H19NO3/c1-2-3-7-14-10(13)11-8-5-4-6-9(8)12/h8-9,12H,2-7H2,1H3,(H,11,13)/t8-,9-/m0/s1
InChIKeyROKZUURIHPVEEK-IUCAKERBSA-N
XLogP1.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl N-(3-hydroxycyclobutyl)carbamate
CID 90731053
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate
CID 54259099
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate
CID 144589052
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
butyl N-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate
CID 7614508
N-[(1R,2S)-2-hydroxycyclopentyl]acetamide
CID 14988808
1-ethoxy-3-(2-hydroxycyclohexyl)urea
CID 91661385
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502

Frequently Asked Questions

What is the IUPAC name of butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate?
The IUPAC name of butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate (CID 160683329) is butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate.
What is the SMILES notation for butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate?
The canonical SMILES for butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate is CCCCOC(=O)N[C@H]1CCC[C@@H]1O.
What is the InChIKey of butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate?
The InChIKey is ROKZUURIHPVEEK-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-7-14-10(13)11-8-5-4-6-9(8)12/h8-9,12H,2-7H2,1H3,(H,11,13)/t8-,9-/m0/s1.
What are the key properties of butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate?
butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate has a molecular weight of 201.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate is sourced from PubChem (CID 160683329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).