rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate

C9H18N2O3 — CID 76850218

IUPACtert-butyl N-[(3S,4R)-4-aminooxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1N
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyHWYDCYLRWDJCCH-NKWVEPMBSA-N
MW202.25 g/mol
LogP-0.30
Rot. Bonds3

About rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate

rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate (PubChem CID 76850218) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-4-aminooxolan-3-yl]carbamate.

Molecular Properties

Compound Namerac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate
PubChem CID76850218
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nametert-butyl N-[(3S,4R)-4-aminooxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1N
InChIInChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyHWYDCYLRWDJCCH-NKWVEPMBSA-N
XLogP-0.30
TPSA73.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity213

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl ((3R,4S)-4-aminotetrahydrofuran-3-yl)carbamate
CID 90436776
rac-tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate
CID 97135520
rac-tert-butyl N-[(3R,4S)-4-methoxypyrrolidin-3-yl]carbamate
CID 15069970
rac-tert-butyl N-[(3R,4R)-4-methoxypyrrolidin-3-yl]carbamate
CID 15069971
tert-butyl N-[(2R)-2-amino-3-methoxypropyl]carbamate
CID 16038809
Carbamic acid, (3-morpholinylmethyl)-, 1,1-dimethylethyl ester
CID 19691327
tert-butyl N-((2S)-2-amino-3-methoxypropyl)carbamate
CID 45092015
tert-butyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 45092031
tert-butyl N-[2-(3-aminopropoxy)ethyl]carbamate
CID 45092310
tert-butyl N-((2R)-1-amino-3-methoxypropan-2-yl)carbamate
CID 59199768
Tert-butyl 3-((methylamino)methyl)morpholine-4-carboxylate
CID 67090612
tert-butyl N-(azetidin-3-yl)-N-(oxolan-3-yl)carbamate
CID 67189658

Frequently Asked Questions

What is the IUPAC name of rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
The IUPAC name of rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate (CID 76850218) is tert-butyl N-[(3S,4R)-4-aminooxolan-3-yl]carbamate.
What is the SMILES notation for rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
The canonical SMILES for rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1N.
What is the InChIKey of rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
The InChIKey is HWYDCYLRWDJCCH-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-7-5-13-4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate?
rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate has a molecular weight of 202.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for rac-tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate is sourced from PubChem (CID 76850218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).