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

C7H13NO5 — CID 118255569

IUPAC(2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid
SMILESCOC(=O)CCO[C@@H](CN)C(=O)O
InChIInChI=1S/C7H13NO5/c1-12-6(9)2-3-13-5(4-8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyYICBFYLTCHLLTD-YFKPBYRVSA-N
MW191.18 g/mol
LogP-1.02
Rot. Bonds6

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

(2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid (PubChem CID 118255569) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid
PubChem CID118255569
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid
SMILESCOC(=O)CCO[C@@H](CN)C(=O)O
InChIInChI=1S/C7H13NO5/c1-12-6(9)2-3-13-5(4-8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyYICBFYLTCHLLTD-YFKPBYRVSA-N
XLogP-1.02
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoate
CID 118253843
(2S)-2-(3-methoxy-3-oxopropoxy)-3-(methylamino)propanoic acid
CID 118253846
methyl 3-propan-2-yloxypropanoate
CID 18469515
3-amino-2-(3-methoxy-3-methylbutoxy)propanoic acid
CID 106668506
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 100910535
methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride
CID 172915982
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
methyl 3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66275187
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
dimethyl hexanedioate;stannane
CID 173290076
4-amino-2-[3-(2-methoxyethoxy)propoxy]butanoic acid
CID 103407397
3-amino-2-(cyclohexylmethoxy)propanoic acid
CID 64695056

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid?
The IUPAC name of (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid (CID 118255569) is (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid.
What is the SMILES notation for (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid?
The canonical SMILES for (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid is COC(=O)CCO[C@@H](CN)C(=O)O.
What is the InChIKey of (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid?
The InChIKey is YICBFYLTCHLLTD-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO5/c1-12-6(9)2-3-13-5(4-8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid?
(2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid has a molecular weight of 191.18 g/mol, XLogP of -1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(3-methoxy-3-oxopropoxy)propanoic acid is sourced from PubChem (CID 118255569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).