2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid

C11H19NO5 — CID 25419095

IUPAC2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyQVOPNRRQHPWQMF-QMMMGPOBSA-N
MW245.27 g/mol
LogP1.10
Rot. Bonds2

About 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid

2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid (PubChem CID 25419095) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
PubChem CID25419095
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyQVOPNRRQHPWQMF-QMMMGPOBSA-N
XLogP1.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-((Tert-butoxy)carbonyl)morpholin-3-yl)acetic acid
CID 22487663
tert-Butyl 3-(2-hydroxyethyl)morpholine-4-carboxylate
CID 53429456
(3R)-4-((1,1-Dimethylethoxy)carbonyl)-3-morpholineacetic acid
CID 11459223
4-tert-Butoxycarbonyl-1,4-oxazepane-5-carboxylic acid
CID 138112096
2-(8-((Tert-butoxy)carbonyl)-5-oxa-8-azaspiro(3.5)nonan-7-yl)acetic acid
CID 146082068
2-{4-[(Tert-butoxy)carbonyl]-6,6-dimethylmorpholin-3-yl}aceticacid
CID 155820057
2-(4-((Tert-butoxy)carbonyl)-6-(trifluoromethyl)morpholin-3-yl)acetic acid
CID 155970364
3-tert-Butyl 4-methyl 2-methyl-1,3-oxazinane-3,4-dicarboxylate
CID 381854
tert-Butyl 3-(2-ethoxy-2-oxoethyl)morpholine-4-carboxylate
CID 11149989
2-[4-(2,2,2-Trifluoroethoxycarbonyl)morpholin-3-yl]acetic acid
CID 80418712
rac-2-[(3R,6R)-4-[(tert-butoxy)carbonyl]-6-(trifluoromethyl)morpholin-3-yl]aceticacid
CID 155973214
2-[6,6-Dimethyl-4-(2,2,2-trifluoroacetyl)morpholin-3-yl]acetic acid
CID 165937156

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid (CID 25419095) is 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid is CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid?
The InChIKey is QVOPNRRQHPWQMF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid?
2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid has a molecular weight of 245.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 25419095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).