methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate

C9H15NO5 — CID 166165556

IUPACmethyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)COCC1CO1
InChIInChI=1S/C9H15NO5/c1-6(9(12)13-2)10-8(11)5-14-3-7-4-15-7/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7?/m0/s1
InChIKeyHBXCASQJZMPASX-PKPIPKONSA-N
MW217.22 g/mol
LogP-0.92
Rot. Bonds6

About methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate

methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate (PubChem CID 166165556) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate
PubChem CID166165556
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namemethyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)COCC1CO1
InChIInChI=1S/C9H15NO5/c1-6(9(12)13-2)10-8(11)5-14-3-7-4-15-7/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7?/m0/s1
InChIKeyHBXCASQJZMPASX-PKPIPKONSA-N
XLogP-0.92
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-propan-2-ylacetamide
CID 129257455
oxiran-2-ylmethyl N-propan-2-ylcarbamate
CID 19812627
N-(3-methylbutan-2-yl)-2-(morpholin-2-ylmethoxy)acetamide
CID 114468689
methyl 2-[3-(oxan-2-yl)propanoylamino]propanoate
CID 63953576
methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
CID 60687311
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide
CID 118895063
methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119781285
1-O-methyl 5-O-(oxiran-2-ylmethyl) 2-ethyl-4-methylpentanedioate
CID 22900964
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
[2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate
CID 134285618
methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate
CID 87040393

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate (CID 166165556) is methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)COCC1CO1.
What is the InChIKey of methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate?
The InChIKey is HBXCASQJZMPASX-PKPIPKONSA-N. The full InChI is InChI=1S/C9H15NO5/c1-6(9(12)13-2)10-8(11)5-14-3-7-4-15-7/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7?/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate?
methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate has a molecular weight of 217.22 g/mol, XLogP of -0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(oxiran-2-ylmethoxy)acetyl]amino]propanoate is sourced from PubChem (CID 166165556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).