methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate

C12H16N2O4 — CID 10705950

IUPACmethyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate
SMILESCOC(=O)[C@@H](N)CCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H16N2O4/c1-18-12(17)10(13)5-6-11(16)14-8-3-2-4-9(15)7-8/h2-4,7,10,15H,5-6,13H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyUXNFMNSMTZNASQ-JTQLQIEISA-N
MW252.27 g/mol
LogP0.61
Rot. Bonds5

About methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate

methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate (PubChem CID 10705950) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate
PubChem CID10705950
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate
SMILESCOC(=O)[C@@H](N)CCC(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H16N2O4/c1-18-12(17)10(13)5-6-11(16)14-8-3-2-4-9(15)7-8/h2-4,7,10,15H,5-6,13H2,1H3,(H,14,16)/t10-/m0/s1
InChIKeyUXNFMNSMTZNASQ-JTQLQIEISA-N
XLogP0.61
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate 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

3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
methyl (2S)-5-(3-hydroxyanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 10617971
methyl 2-amino-5-(4-benzylanilino)-5-oxopentanoate
CID 157440518
methyl (2S)-2-amino-8-anilino-8-oxooctanoate
CID 140522096
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
CID 94760260
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
N-(3-hydroxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 122135780
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
2-(butan-2-ylamino)-N-(3-hydroxyphenyl)acetamide
CID 61166125
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
methyl (2S)-2-amino-5-oxo-5-[4-(4-pyrrol-1-ylphenoxy)anilino]pentanoate
CID 138657696

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate?
The IUPAC name of methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate (CID 10705950) is methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate.
What is the SMILES notation for methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate?
The canonical SMILES for methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate is COC(=O)[C@@H](N)CCC(=O)Nc1cccc(O)c1.
What is the InChIKey of methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate?
The InChIKey is UXNFMNSMTZNASQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-12(17)10(13)5-6-11(16)14-8-3-2-4-9(15)7-8/h2-4,7,10,15H,5-6,13H2,1H3,(H,14,16)/t10-/m0/s1.
What are the key properties of methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate?
methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate has a molecular weight of 252.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate is sourced from PubChem (CID 10705950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).