(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

C10H17NO5 — CID 69129936

IUPAC(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@]1(C(=O)O)CNCCO1
InChIInChI=1S/C10H17NO5/c1-9(2,3)16-8(14)10(7(12)13)6-11-4-5-15-10/h11H,4-6H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyJHBPRQLNYPHYPA-JTQLQIEISA-N
MW231.25 g/mol
LogP-0.23
Rot. Bonds2

About (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid

(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (PubChem CID 69129936) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
PubChem CID69129936
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@]1(C(=O)O)CNCCO1
InChIInChI=1S/C10H17NO5/c1-9(2,3)16-8(14)10(7(12)13)6-11-4-5-15-10/h11H,4-6H2,1-3H3,(H,12,13)/t10-/m0/s1
InChIKeyJHBPRQLNYPHYPA-JTQLQIEISA-N
XLogP-0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799
ditert-butyl aziridine-2,2-dicarboxylate
CID 102235849
tert-butyl 5-methyl-3-azabicyclo[3.1.1]heptane-1-carboxylate
CID 167717750
tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate
CID 52987650
tert-butyl 3-propylpyrrolidine-3-carboxylate
CID 63144849
4-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 23149699
acetic acid;2,2-diethylmorpholine
CID 70348686
ditert-butyl (2S)-2-methylpiperazine-1,2-dicarboxylate
CID 86337386
(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 69456813
tert-butyl 3-benzylpyrrolidine-3-carboxylate
CID 156631335
tert-butyl 3-(difluoromethyl)azetidine-3-carboxylate
CID 167725355
3-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxylic acid
CID 115017259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid (CID 69129936) is (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is CC(C)(C)OC(=O)[C@@]1(C(=O)O)CNCCO1.
What is the InChIKey of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
The InChIKey is JHBPRQLNYPHYPA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)10(7(12)13)6-11-4-5-15-10/h11H,4-6H2,1-3H3,(H,12,13)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid?
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 69129936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).