2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid

C10H17NO5 — CID 175188581

IUPAC2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N[C@@]1(CC(=O)O)CCO1
InChIInChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-10(4-5-15-10)6-7(12)13/h4-6H2,1-3H3,(H,11,14)(H,12,13)/t10-/m0/s1
InChIKeyQKFWLURIEUHJMS-JTQLQIEISA-N
MW231.25 g/mol
LogP1.10
Rot. Bonds3

About 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid

2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid (PubChem CID 175188581) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid
PubChem CID175188581
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N[C@@]1(CC(=O)O)CCO1
InChIInChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-10(4-5-15-10)6-7(12)13/h4-6H2,1-3H3,(H,11,14)(H,12,13)/t10-/m0/s1
InChIKeyQKFWLURIEUHJMS-JTQLQIEISA-N
XLogP1.10
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943
tert-butyl N-[4-(chloromethyl)oxan-4-yl]carbamate
CID 106300353
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[1-(1-hydroxyethenyl)cyclopropyl]carbamate
CID 70266871
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
6-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxepane-6-carboxylic acid
CID 130559641
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
CID 167738112
2-[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
CID 86722962
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxane-5-carboxylic acid
CID 58906675
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid (CID 175188581) is 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid is CC(C)(C)OC(=O)N[C@@]1(CC(=O)O)CCO1.
What is the InChIKey of 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid?
The InChIKey is QKFWLURIEUHJMS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NO5/c1-9(2,3)16-8(14)11-10(4-5-15-10)6-7(12)13/h4-6H2,1-3H3,(H,11,14)(H,12,13)/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid?
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid has a molecular weight of 231.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid is sourced from PubChem (CID 175188581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).