methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate

C13H24N2O3 — CID 113358128

IUPACmethyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)C1(CN)CCC1
InChIInChI=1S/C13H24N2O3/c1-9(2)7-10(11(16)18-3)15-12(17)13(8-14)5-4-6-13/h9-10H,4-8,14H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyQFWFIGBSOGBPIW-JTQLQIEISA-N
MW256.35 g/mol
LogP0.82
Rot. Bonds6

About methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate

methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate (PubChem CID 113358128) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate
PubChem CID113358128
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)C1(CN)CCC1
InChIInChI=1S/C13H24N2O3/c1-9(2)7-10(11(16)18-3)15-12(17)13(8-14)5-4-6-13/h9-10H,4-8,14H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyQFWFIGBSOGBPIW-JTQLQIEISA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-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

1-(aminomethyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 115434776
methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3-methylbutanoate
CID 115447658
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methoxy-4-oxobutanoic acid
CID 113311705
(2S)-2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-methylpentanoic acid
CID 115439404
methyl 4-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63129989
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539
(2R)-4-methyl-2-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 119363910
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
methyl (2S)-2-(3-aminopropanoylamino)-4-methylpentanoate
CID 103954799
methyl (2S)-2-[(5-amino-2-methylpentanoyl)amino]-4-methylpentanoate
CID 104685550
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030
methyl (2R)-2-[(2,2-dichloroacetyl)amino]-4-methylpentanoate
CID 2287365

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate (CID 113358128) is methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate is COC(=O)[C@H](CC(C)C)NC(=O)C1(CN)CCC1.
What is the InChIKey of methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate?
The InChIKey is QFWFIGBSOGBPIW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)7-10(11(16)18-3)15-12(17)13(8-14)5-4-6-13/h9-10H,4-8,14H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate?
methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate has a molecular weight of 256.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylpentanoate is sourced from PubChem (CID 113358128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).