tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate

C12H21NO3 — CID 71146355

IUPACtert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C1=CCCC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-10(14)9-6-4-5-7-9/h6,10,14H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeyMTQXWRAIHGQVLN-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.98
Rot. Bonds3

About tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate

tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate (PubChem CID 71146355) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate
PubChem CID71146355
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C1=CCCC1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-10(14)9-6-4-5-7-9/h6,10,14H,4-5,7-8H2,1-3H3,(H,13,15)
InChIKeyMTQXWRAIHGQVLN-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(cyclopenten-1-yl)-2-oxoethyl]carbamate
CID 71146356
4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
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tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
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tert-butyl N-[(2S)-2-hydroxy-2-(4-iodophenyl)ethyl]carbamate
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tert-butyl N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]carbamate
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tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
tert-butyl N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]carbamate
CID 99867079
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
tert-butyl N-[2-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxyethyl]carbamate
CID 71665188
tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate
CID 170129188
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate (CID 71146355) is tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NCC(O)C1=CCCC1.
What is the InChIKey of tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate?
The InChIKey is MTQXWRAIHGQVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-10(14)9-6-4-5-7-9/h6,10,14H,4-5,7-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate?
tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate has a molecular weight of 227.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 71146355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).