(2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid

C8H15NO5 — CID 118253846

IUPAC(2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid
SMILESCNC[C@H](OCCC(=O)OC)C(=O)O
InChIInChI=1S/C8H15NO5/c1-9-5-6(8(11)12)14-4-3-7(10)13-2/h6,9H,3-5H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyPZWSXJDDARURML-LURJTMIESA-N
MW205.21 g/mol
LogP-0.76
Rot. Bonds7

About (2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid

(2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid (PubChem CID 118253846) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid
PubChem CID118253846
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name(2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid
SMILESCNC[C@H](OCCC(=O)OC)C(=O)O
InChIInChI=1S/C8H15NO5/c1-9-5-6(8(11)12)14-4-3-7(10)13-2/h6,9H,3-5H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyPZWSXJDDARURML-LURJTMIESA-N
XLogP-0.76
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid
CID 118255569
methyl 3-propan-2-yloxypropanoate
CID 18469515
methyl (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoate
CID 118253843
methyl (4R)-4-hydroxy-5-(methylamino)pentanoate
CID 129125188
methyl 3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66275187
dimethyl hexanedioate;stannane
CID 173290076
(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
CID 122173679
4-methoxy-2-(methylaminomethyl)butanoic acid
CID 117236960
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172894169
2,3-dihydroxybutanedioic acid;methyl butanoate
CID 174661800
2-(2-hydroxyethoxy)-3-methoxypropanoic acid
CID 168724097

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid?
The IUPAC name of (2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid (CID 118253846) is (2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid?
The canonical SMILES for (2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid is CNC[C@H](OCCC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid?
The InChIKey is PZWSXJDDARURML-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO5/c1-9-5-6(8(11)12)14-4-3-7(10)13-2/h6,9H,3-5H2,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid?
(2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid has a molecular weight of 205.21 g/mol, XLogP of -0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid is sourced from PubChem (CID 118253846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).