3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one

C18H24N2O6 — CID 11013955

IUPAC3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@H](CC(=O)N2CCOC2=O)NOCc2ccccc2)O1
InChIInChI=1S/C18H24N2O6/c1-18(2)24-12-15(26-18)14(10-16(21)20-8-9-23-17(20)22)19-25-11-13-6-4-3-5-7-13/h3-7,14-15,19H,8-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyFKDAMDPEVWGZND-LSDHHAIUSA-N
MW364.40 g/mol
LogP1.60
Rot. Bonds7

About 3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one

3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 11013955) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one
PubChem CID11013955
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC[C@H]([C@H](CC(=O)N2CCOC2=O)NOCc2ccccc2)O1
InChIInChI=1S/C18H24N2O6/c1-18(2)24-12-15(26-18)14(10-16(21)20-8-9-23-17(20)22)19-25-11-13-6-4-3-5-7-13/h3-7,14-15,19H,8-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyFKDAMDPEVWGZND-LSDHHAIUSA-N
XLogP1.60
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethyl]carbamate
CID 11290277
benzyl N-[(1S)-2-amino-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl]carbamate
CID 13388547
tert-butyl 3-(benzylamino)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
CID 18465678
methyl (E,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-phenylmethoxybut-2-enoate
CID 11716472
benzyl N-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(4-methoxyphenyl)methyl]carbamate
CID 102287259
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde
CID 10729339
3-[(3R)-7-chloro-4,4-dimethyl-3-(2-phenylmethoxyethyl)heptanoyl]-1,3-oxazolidin-2-one
CID 11452241
methyl (2E,4E,6R,7S)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-phenylmethoxyhepta-2,4-dienoate
CID 11361240
(3S)-1-(4-chlorophenyl)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-1-one
CID 102361867
(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
3-[(3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 24745918

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one (CID 11013955) is 3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one is CC1(C)OC[C@H]([C@H](CC(=O)N2CCOC2=O)NOCc2ccccc2)O1.
What is the InChIKey of 3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FKDAMDPEVWGZND-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-18(2)24-12-15(26-18)14(10-16(21)20-8-9-23-17(20)22)19-25-11-13-6-4-3-5-7-13/h3-7,14-15,19H,8-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of 3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one?
3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 364.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(phenylmethoxyamino)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11013955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).