methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate

C15H30N2O2 — CID 63632356

IUPACmethyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(CN(C)CC1CCCC1)NC(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)16-15(3,14(18)19-5)11-17(4)10-13-8-6-7-9-13/h12-13,16H,6-11H2,1-5H3
InChIKeyYZVUDXKOKVZTRZ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds7

About methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate

methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate (PubChem CID 63632356) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate
PubChem CID63632356
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(CN(C)CC1CCCC1)NC(C)C
InChIInChI=1S/C15H30N2O2/c1-12(2)16-15(3,14(18)19-5)11-17(4)10-13-8-6-7-9-13/h12-13,16H,6-11H2,1-5H3
InChIKeyYZVUDXKOKVZTRZ-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate with MolForge

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Related Compounds

methyl 3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropanoate
CID 62861732
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
CID 62861557
methyl 3-(cyclopentylmethylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 63120139
methyl 4-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(propan-2-ylamino)butanoate
CID 64521644
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63910337
methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
CID 115233730
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825256
methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709610
methyl 2-amino-3-[cyclopentylmethyl(methyl)amino]propanoate
CID 63632179
3-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64787635
4-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64787804

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate (CID 63632356) is methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate is COC(=O)C(C)(CN(C)CC1CCCC1)NC(C)C.
What is the InChIKey of methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate?
The InChIKey is YZVUDXKOKVZTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)16-15(3,14(18)19-5)11-17(4)10-13-8-6-7-9-13/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate?
methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 63632356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).