tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate

C12H21NO3 — CID 102483030

IUPACtert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=C[C@@H](CCO)C1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10-5-4-9(8-10)6-7-14/h4-5,9-10,14H,6-8H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyXMQGQQOWZGNRTP-UWVGGRQHSA-N
MW227.30 g/mol
LogP1.84
Rot. Bonds3

About tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate

tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate (PubChem CID 102483030) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate
PubChem CID102483030
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C=C[C@@H](CCO)C1
InChIInChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10-5-4-9(8-10)6-7-14/h4-5,9-10,14H,6-8H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyXMQGQQOWZGNRTP-UWVGGRQHSA-N
XLogP1.84
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 ≤ 51.84
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-[(1S,4R)-4-(ethoxymethyl)cyclopent-2-en-1-yl]carbamate
CID 141129683
2-(acetylsulfanylmethyl)-3-[(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl]propanoic acid
CID 141030528
methyl (1R,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
CID 86313516
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylate
CID 70805737
1-O-methyl 3-O-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] propanedioate
CID 75084301
tert-butyl N-[(1R,4S)-4-(pyridin-2-ylsulfanylmethyl)cyclopent-2-en-1-yl]carbamate
CID 69483411
tert-butyl N-[(1S,4R)-4-(2-methylprop-2-enoyl)cyclopent-2-en-1-yl]carbamate
CID 89271681
tert-butyl N-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]carbamate
CID 25112436
tert-butyl N-[(1S,4R)-4-[[(5-cyano-2-pyridinyl)amino]methyl]cyclopent-2-en-1-yl]carbamate
CID 69483781
tert-butyl N-[(1S,4R)-4-[hydroxy(methylsulfonyl)methyl]cyclopent-2-en-1-yl]carbamate
CID 71163238
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate (CID 102483030) is tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](CCO)C1.
What is the InChIKey of tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate?
The InChIKey is XMQGQQOWZGNRTP-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10-5-4-9(8-10)6-7-14/h4-5,9-10,14H,6-8H2,1-3H3,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate?
tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate has a molecular weight of 227.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,4R)-4-(2-hydroxyethyl)cyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 102483030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).