(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid

C10H17NO5 — CID 105489053

IUPAC(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7-5-15-4-6(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7-/m1/s1
InChIKeyFUECAVZSGQIGRI-RNFRBKRXSA-N
MW231.25 g/mol
LogP0.61
Rot. Bonds2

About (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid

(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid (PubChem CID 105489053) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
PubChem CID105489053
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7-5-15-4-6(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7-/m1/s1
InChIKeyFUECAVZSGQIGRI-RNFRBKRXSA-N
XLogP0.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-tert-Butyl (5-oxotetrahydrofuran-3-yl)carbamate
CID 10943528
tert-butyl (3R)-3-(((tert-butoxy)carbonyl)amino)-4-hydroxybutanoate
CID 62706972
rac-(3R,4S)-4-{[(tert-butoxy)carbonyl]amino}oxolane-3-carboxylic acid
CID 105489052
(3R,4R)-4-(((Tert-butoxy)carbonyl)amino)oxolane-3-carboxylic acid
CID 129981130
Methyl (S)-3-(Boc-amino)-4-hydroxybutanoate
CID 54573797
(3R)-3-(((tert-butoxy)carbonyl)amino)-4-methoxybutanoic acid
CID 132398544
(3R)-4-(tert-butoxy)-3-(((tert-butoxy)carbonyl)amino)butanoic acid
CID 137944793
tert-Butyl (5-oxotetrahydrofuran-3-yl)carbamate
CID 3694396
3-(Boc-amino)-4-hydroxybutanoic Acid
CID 4323057
tert-butyl N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]carbamate
CID 11390264
(S)-tert-Butyl 3-((tert-butoxycarbonyl)amino)-4-hydroxybutanoate
CID 11616071
(3S)-4-butoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3-tritiobutanoic acid
CID 53790551

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid (CID 105489053) is (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
The InChIKey is FUECAVZSGQIGRI-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7-5-15-4-6(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7-/m1/s1.
What are the key properties of (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid?
(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 105489053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).