[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate

C12H14N2O5 — CID 7126263

IUPAC[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CCCO1
InChIInChI=1S/C12H14N2O5/c15-12(19-8-11-2-1-7-18-11)13-9-3-5-10(6-4-9)14(16)17/h3-6,11H,1-2,7-8H2,(H,13,15)/t11-/m0/s1
InChIKeyREKFWYMOEPCWKP-NSHDSACASA-N
MW266.25 g/mol
LogP2.32
Rot. Bonds4

About [(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate

[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate (PubChem CID 7126263) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
PubChem CID7126263
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CCCO1
InChIInChI=1S/C12H14N2O5/c15-12(19-8-11-2-1-7-18-11)13-9-3-5-10(6-4-9)14(16)17/h3-6,11H,1-2,7-8H2,(H,13,15)/t11-/m0/s1
InChIKeyREKFWYMOEPCWKP-NSHDSACASA-N
XLogP2.32
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-oxolan-2-yl]methyl 4-nitrobenzoate
CID 36688887
molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7323851
oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309341
(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295896
(E)-3-(4-nitrophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17186947
[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
CID 27077124
2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 78788516
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
oxolan-2-ylmethyl 4-nitrobenzenesulfonate
CID 2827480
oxolan-2-ylmethyl (2S)-2-(4-nitrophenyl)sulfonyloxypropanoate
CID 88611397
2-[(2R)-oxolan-2-yl]ethyl 4-nitrobenzoate
CID 96528425

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate (CID 7126263) is [(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate is O=C(Nc1ccc([N+](=O)[O-])cc1)OC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate?
The InChIKey is REKFWYMOEPCWKP-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O5/c15-12(19-8-11-2-1-7-18-11)13-9-3-5-10(6-4-9)14(16)17/h3-6,11H,1-2,7-8H2,(H,13,15)/t11-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate?
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate has a molecular weight of 266.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate is sourced from PubChem (CID 7126263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).