methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate

C14H26N2O5 — CID 62012650

IUPACmethyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)CN(C)CCC(=O)OC)C(=O)OC
InChIInChI=1S/C14H26N2O5/c1-6-10(2)13(14(19)21-5)15-11(17)9-16(3)8-7-12(18)20-4/h10,13H,6-9H2,1-5H3,(H,15,17)
InChIKeyXAMFDVNUKSSMRY-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.19
Rot. Bonds9

About methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate

methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate (PubChem CID 62012650) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate
PubChem CID62012650
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Namemethyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)CN(C)CCC(=O)OC)C(=O)OC
InChIInChI=1S/C14H26N2O5/c1-6-10(2)13(14(19)21-5)15-11(17)9-16(3)8-7-12(18)20-4/h10,13H,6-9H2,1-5H3,(H,15,17)
InChIKeyXAMFDVNUKSSMRY-UHFFFAOYSA-N
XLogP0.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]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 (2S,3S)-2-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]-3-methylpentanoate
CID 94234133
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672
methyl (2S,3R)-2-[[2-[2-hydroxyethyl(propyl)amino]acetyl]amino]-3-methylpentanoate
CID 98762908
2-[[2-[butyl(methyl)amino]acetyl]amino]-3-methylpentanoic acid
CID 82042397
methyl (2S,3R)-3-methyl-2-[[2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetyl]amino]pentanoate
CID 8550979
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 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
(2S,3S)-2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 55001754
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
methyl (2S,3S)-2-(3-cyanopropanoylamino)-3-methylpentanoate
CID 100927698
methyl (2S,3S)-2-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-3-methylpentanoate
CID 8794057
methyl (2S,3S)-2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]-3-methylpentanoate
CID 88773797

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate (CID 62012650) is methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate is CCC(C)C(NC(=O)CN(C)CCC(=O)OC)C(=O)OC.
What is the InChIKey of methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate?
The InChIKey is XAMFDVNUKSSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-6-10(2)13(14(19)21-5)15-11(17)9-16(3)8-7-12(18)20-4/h10,13H,6-9H2,1-5H3,(H,15,17).
What are the key properties of methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate?
methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate has a molecular weight of 302.37 g/mol, XLogP of 0.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3-methoxy-3-oxopropyl)-methylamino]acetyl]amino]-3-methylpentanoate is sourced from PubChem (CID 62012650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).