methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate

C12H24N2O4 — CID 94234133

IUPACmethyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)CN(C)CCO)C(=O)OC
InChIInChI=1S/C12H24N2O4/c1-5-9(2)11(12(17)18-4)13-10(16)8-14(3)6-7-15/h9,11,15H,5-8H2,1-4H3,(H,13,16)/t9-,11-/m0/s1
InChIKeyJBBZLJSCQFDQSS-ONGXEEELSA-N
MW260.33 g/mol
LogP-0.39
Rot. Bonds8

About methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate

methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate (PubChem CID 94234133) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate
PubChem CID94234133
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namemethyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)CN(C)CCO)C(=O)OC
InChIInChI=1S/C12H24N2O4/c1-5-9(2)11(12(17)18-4)13-10(16)8-14(3)6-7-15/h9,11,15H,5-8H2,1-4H3,(H,13,16)/t9-,11-/m0/s1
InChIKeyJBBZLJSCQFDQSS-ONGXEEELSA-N
XLogP-0.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate 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 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate
CID 62012650
methyl (2S,3R)-2-[[2-[2-hydroxyethyl(propyl)amino]acetyl]amino]-3-methylpentanoate
CID 98762908
2-[2-hydroxyethyl(methyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 60683894
2-[[2-[butyl(methyl)amino]acetyl]amino]-3-methylpentanoic acid
CID 82042397
methyl (2S)-2-[[2-[2-[[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl-methylamino]acetyl]amino]propanoate
CID 102470041
methyl (2S,3R)-3-methyl-2-[[2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetyl]amino]pentanoate
CID 8550979
methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate
CID 79345601
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
methyl (2S,3S)-2-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-3-methylpentanoate
CID 8794057
methyl (2S,3S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-methylpentanoate
CID 120590169
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 60851923
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate?
The IUPAC name of methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate (CID 94234133) is methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate is CC[C@H](C)[C@H](NC(=O)CN(C)CCO)C(=O)OC.
What is the InChIKey of methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate?
The InChIKey is JBBZLJSCQFDQSS-ONGXEEELSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-9(2)11(12(17)18-4)13-10(16)8-14(3)6-7-15/h9,11,15H,5-8H2,1-4H3,(H,13,16)/t9-,11-/m0/s1.
What are the key properties of methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate?
methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate has a molecular weight of 260.33 g/mol, XLogP of -0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate is sourced from PubChem (CID 94234133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).