methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate

C13H25NO2 — CID 65044317

IUPACmethyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCCC1C
InChIInChI=1S/C13H25NO2/c1-9(2)8-12(13(15)16-4)14-11-7-5-6-10(11)3/h9-12,14H,5-8H2,1-4H3
InChIKeyIXWNKFXWONRXHK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds5

About methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate

methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate (PubChem CID 65044317) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
PubChem CID65044317
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCCC1C
InChIInChI=1S/C13H25NO2/c1-9(2)8-12(13(15)16-4)14-11-7-5-6-10(11)3/h9-12,14H,5-8H2,1-4H3
InChIKeyIXWNKFXWONRXHK-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-methylcyclohexyl)amino]butanoate
CID 115279491
methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
CID 939585
methyl 2-[(2-cyanocyclopentyl)amino]-4-methylpentanoate
CID 55114184
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087
methyl 4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentanoate
CID 65086959
methyl 2-[(4-aminocyclohexyl)amino]-4-methylpentanoate
CID 79724266
4-methyl-2-[(2-methylcyclopentyl)amino]pentan-1-ol
CID 65045844
methyl 4-methyl-2-(piperidin-4-ylamino)pentanoate
CID 61016873
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
methyl 2-acetamido-3-[(2-methylcyclohexyl)amino]propanoate
CID 103235516
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
2-[(2-methylcyclohexyl)amino]butanamide
CID 62901176

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate (CID 65044317) is methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate is COC(=O)C(CC(C)C)NC1CCCC1C.
What is the InChIKey of methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate?
The InChIKey is IXWNKFXWONRXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(2)8-12(13(15)16-4)14-11-7-5-6-10(11)3/h9-12,14H,5-8H2,1-4H3.
What are the key properties of methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate?
methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate has a molecular weight of 227.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methylcyclopentyl)amino]pentanoate is sourced from PubChem (CID 65044317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).