(5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one

C8H15N3O2 — CID 124573390

IUPAC(5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESN[C@H]1CCN(C[C@H]2CNC(=O)O2)C1
InChIInChI=1S/C8H15N3O2/c9-6-1-2-11(4-6)5-7-3-10-8(12)13-7/h6-7H,1-5,9H2,(H,10,12)/t6-,7+/m0/s1
InChIKeyAQQHFAWEMFBBTD-NKWVEPMBSA-N
MW185.23 g/mol
LogP-0.87
Rot. Bonds2

About (5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one

(5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 124573390) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is (5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID124573390
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name(5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESN[C@H]1CCN(C[C@H]2CNC(=O)O2)C1
InChIInChI=1S/C8H15N3O2/c9-6-1-2-11(4-6)5-7-3-10-8(12)13-7/h6-7H,1-5,9H2,(H,10,12)/t6-,7+/m0/s1
InChIKeyAQQHFAWEMFBBTD-NKWVEPMBSA-N
XLogP-0.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-3-carboxylate
CID 113330833
5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 54885668
(5S)-5-amino-1,3-oxazolidin-2-one
CID 141300678
5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1,3-oxazolidin-2-one
CID 102850340
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carbaldehyde
CID 62654793
1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]piperidine-2-carboxylic acid
CID 43441008
3-(3-but-3-ynyldiazirin-3-yl)-N-[(3S)-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pyrrolidin-3-yl]propanamide
CID 166418043
(5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 66893932
5-(2-fluoroethyl)-1,3-oxazolidin-2-one
CID 67254988
5-[[2-(2-oxocyclopentyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 79545472
(3S)-1-[(3-aminocyclopentyl)methyl]pyrrolidin-3-amine
CID 130625838
(5S)-5-but-3-enyl-1,3-oxazolidin-2-one
CID 89405758

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 124573390) is (5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one is N[C@H]1CCN(C[C@H]2CNC(=O)O2)C1.
What is the InChIKey of (5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is AQQHFAWEMFBBTD-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-6-1-2-11(4-6)5-7-3-10-8(12)13-7/h6-7H,1-5,9H2,(H,10,12)/t6-,7+/m0/s1.
What are the key properties of (5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
(5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 185.23 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 124573390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).