ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate

C9H17NO4 — CID 168971565

IUPACethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate
SMILESCCOC(=O)[C@@H](C)N(C)C(=O)CCO
InChIInChI=1S/C9H17NO4/c1-4-14-9(13)7(2)10(3)8(12)5-6-11/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyBNDQHTSHQYKUOH-SSDOTTSWSA-N
MW203.24 g/mol
LogP-0.22
Rot. Bonds5

About ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate

ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate (PubChem CID 168971565) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate
PubChem CID168971565
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate
SMILESCCOC(=O)[C@@H](C)N(C)C(=O)CCO
InChIInChI=1S/C9H17NO4/c1-4-14-9(13)7(2)10(3)8(12)5-6-11/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyBNDQHTSHQYKUOH-SSDOTTSWSA-N
XLogP-0.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate 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

ethyl 2-[3-hydroxypropanoyl(methyl)amino]-3-methylbutanoate
CID 168971540
ethyl 2-[carbonochloridoyl(methyl)amino]propanoate
CID 134323297
ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate
CID 103768211
ethyl (2S)-2-[2-[bis[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]ethyl-[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]propanoate
CID 15468522
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815
bis[[(2S)-2-[methyl(octadecanoyl)amino]propanoyl]oxy]alumanyl (2S)-2-[methyl(octadecanoyl)amino]propanoate
CID 139835757
2-[methyl(pentanoyl)amino]propanoic acid
CID 62627616
diethyl 2-methylpropanedioate;zirconium
CID 174876844
ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718895
ethyl 3-hydroxypropanoate
CID 160663371
ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate
CID 69164951
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylnonanamide
CID 65448406

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate?
The IUPAC name of ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate (CID 168971565) is ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate is CCOC(=O)[C@@H](C)N(C)C(=O)CCO.
What is the InChIKey of ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate?
The InChIKey is BNDQHTSHQYKUOH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-14-9(13)7(2)10(3)8(12)5-6-11/h7,11H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate?
ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate has a molecular weight of 203.24 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate is sourced from PubChem (CID 168971565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).