methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate

C11H21NO4 — CID 165477461

IUPACmethyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate
SMILESCCCN[C@H](C(=O)OC)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H21NO4/c1-5-6-12-9(10(13)14-4)8-7-15-11(2,3)16-8/h8-9,12H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyMMWOVGJCDAIFGS-IUCAKERBSA-N
MW231.29 g/mol
LogP0.68
Rot. Bonds5

About methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate

methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate (PubChem CID 165477461) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate
PubChem CID165477461
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate
SMILESCCCN[C@H](C(=O)OC)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H21NO4/c1-5-6-12-9(10(13)14-4)8-7-15-11(2,3)16-8/h8-9,12H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyMMWOVGJCDAIFGS-IUCAKERBSA-N
XLogP0.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10989869
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
CID 4053441
methyl (2S,3R)-2-chloro-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 158040346
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 102153922
methyl (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-nitropropanoate
CID 102288291
methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypropanoate
CID 12641503
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691681
ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691682
methyl (2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypent-4-enoate
CID 14381476
methyl (2R,3R,23R)-23-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-docosyl-3-hydroxytetracosanoate
CID 45378691
dimethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanedioate
CID 75090382
methyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]carbamate
CID 130024154

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate?
The IUPAC name of methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate (CID 165477461) is methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate.
What is the SMILES notation for methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate?
The canonical SMILES for methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate is CCCN[C@H](C(=O)OC)[C@@H]1COC(C)(C)O1.
What is the InChIKey of methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate?
The InChIKey is MMWOVGJCDAIFGS-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-6-12-9(10(13)14-4)8-7-15-11(2,3)16-8/h8-9,12H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate?
methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate has a molecular weight of 231.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(propylamino)acetate is sourced from PubChem (CID 165477461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).