ethyl (2S)-2-acetamido-3-hydroxypropanoate

C7H13NO4 — CID 14420232

IUPACethyl (2S)-2-acetamido-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](CO)NC(C)=O
InChIInChI=1S/C7H13NO4/c1-3-12-7(11)6(4-9)8-5(2)10/h6,9H,3-4H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKeyYXUCRUPRXCTOEV-LURJTMIESA-N
MW175.18 g/mol
LogP-0.95
Rot. Bonds4

About ethyl (2S)-2-acetamido-3-hydroxypropanoate

ethyl (2S)-2-acetamido-3-hydroxypropanoate (PubChem CID 14420232) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is ethyl (2S)-2-acetamido-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-acetamido-3-hydroxypropanoate
PubChem CID14420232
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Nameethyl (2S)-2-acetamido-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](CO)NC(C)=O
InChIInChI=1S/C7H13NO4/c1-3-12-7(11)6(4-9)8-5(2)10/h6,9H,3-4H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKeyYXUCRUPRXCTOEV-LURJTMIESA-N
XLogP-0.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-acetamido-3-hydroxypropanoate?
The IUPAC name of ethyl (2S)-2-acetamido-3-hydroxypropanoate (CID 14420232) is ethyl (2S)-2-acetamido-3-hydroxypropanoate.
What is the SMILES notation for ethyl (2S)-2-acetamido-3-hydroxypropanoate?
The canonical SMILES for ethyl (2S)-2-acetamido-3-hydroxypropanoate is CCOC(=O)[C@H](CO)NC(C)=O.
What is the InChIKey of ethyl (2S)-2-acetamido-3-hydroxypropanoate?
The InChIKey is YXUCRUPRXCTOEV-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-12-7(11)6(4-9)8-5(2)10/h6,9H,3-4H2,1-2H3,(H,8,10)/t6-/m0/s1.
What are the key properties of ethyl (2S)-2-acetamido-3-hydroxypropanoate?
ethyl (2S)-2-acetamido-3-hydroxypropanoate has a molecular weight of 175.18 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-acetamido-3-hydroxypropanoate is sourced from PubChem (CID 14420232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).