(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one

C7H13NO3 — CID 66645578

IUPAC(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one
SMILESC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O
InChIInChI=1S/C7H13NO3/c1-4-2-6(5(8)3-9)11-7(4)10/h4-6,9H,2-3,8H2,1H3/t4-,5+,6+/m1/s1
InChIKeyZZHZCBGOPROTHX-SRQIZXRXSA-N
MW159.18 g/mol
LogP-0.74
Rot. Bonds2

About (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one

(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one (PubChem CID 66645578) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one
PubChem CID66645578
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one
SMILESC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O
InChIInChI=1S/C7H13NO3/c1-4-2-6(5(8)3-9)11-7(4)10/h4-6,9H,2-3,8H2,1H3/t4-,5+,6+/m1/s1
InChIKeyZZHZCBGOPROTHX-SRQIZXRXSA-N
XLogP-0.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-2-[3-methyl-2-tetrahydrofuryl]acetic acid
CID 558956
5-(1-Aminoethyl)-3-methyloxolan-2-one
CID 20726918
5-Amino-4-hydroxy-2-methylhexanoic acid
CID 58435610
(3R,5S)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714848
(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714916
(3R,5S)-5-[(S)-1-amino-2-hydroxyethyl]-3-propyldihydrofuran-2-one hydrochloride
CID 66645499
(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propyloxolan-2-one
CID 66645500
(3R,5S)-5-[(S)-1-amino-2-hydroxyethyl]-3-methyldihydrofuran-2-one hydrochloride
CID 66645577
(3S,5S)-5-[(S)-1-amino-2-hydroxyethyl]-3-isopropyldihydrofuran-2-one hydrochloride
CID 66645582
(3S,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-propan-2-yloxolan-2-one
CID 66645583
(3R,5S)-5-[(S)-1-amino-2-hydroxyethyl]-3-ethyldihydrofuran-2-one hydrochloride
CID 66645730
(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one
CID 66645731

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one (CID 66645578) is (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one is C[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.
What is the InChIKey of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one?
The InChIKey is ZZHZCBGOPROTHX-SRQIZXRXSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-2-6(5(8)3-9)11-7(4)10/h4-6,9H,2-3,8H2,1H3/t4-,5+,6+/m1/s1.
What are the key properties of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one?
(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one has a molecular weight of 159.18 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-methyloxolan-2-one is sourced from PubChem (CID 66645578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).