methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate

C13H26N2O3 — CID 60690899

IUPACmethyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate
SMILESCCC(CC)NC(=O)CNC(C(=O)OC)C(C)C
InChIInChI=1S/C13H26N2O3/c1-6-10(7-2)15-11(16)8-14-12(9(3)4)13(17)18-5/h9-10,12,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyPXURMMFVNWDCGD-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.08
Rot. Bonds8

About methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate

methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate (PubChem CID 60690899) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate
PubChem CID60690899
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate
SMILESCCC(CC)NC(=O)CNC(C(=O)OC)C(C)C
InChIInChI=1S/C13H26N2O3/c1-6-10(7-2)15-11(16)8-14-12(9(3)4)13(17)18-5/h9-10,12,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyPXURMMFVNWDCGD-UHFFFAOYSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate 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

2-(1-methoxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 60672224
2-(3,3-dimethylbutan-2-ylamino)-N-pentan-3-ylacetamide
CID 115627530
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
CID 103914253
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
methyl 2-(2-bromoprop-2-enylamino)-3-methylbutanoate
CID 60873203
methyl 2-(dodecylamino)-3-methylbutanoate
CID 63402058
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
CID 60691411
methyl 3-methyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoate
CID 62623948
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
methyl (2S)-2-[[6-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoyl]amino]-3-methylbutanoate
CID 177496792
methyl 2-(1-cyanobutan-2-ylamino)-3-methylbutanoate
CID 43452264
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoate
CID 60851923

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate (CID 60690899) is methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate is CCC(CC)NC(=O)CNC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate?
The InChIKey is PXURMMFVNWDCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-10(7-2)15-11(16)8-14-12(9(3)4)13(17)18-5/h9-10,12,14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate?
methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate has a molecular weight of 258.36 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoate is sourced from PubChem (CID 60690899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).