benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate

C19H28N2O3 — CID 107254987

IUPACbenzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
SMILESCC1CCC(NCC2CN(C(=O)OCc3ccccc3)CCO2)C1
InChIInChI=1S/C19H28N2O3/c1-15-7-8-17(11-15)20-12-18-13-21(9-10-23-18)19(22)24-14-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3
InChIKeyVQDSDFLZHVBVKM-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.80
Rot. Bonds5

About benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate

benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 107254987) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
PubChem CID107254987
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namebenzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
SMILESCC1CCC(NCC2CN(C(=O)OCc3ccccc3)CCO2)C1
InChIInChI=1S/C19H28N2O3/c1-15-7-8-17(11-15)20-12-18-13-21(9-10-23-18)19(22)24-14-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3
InChIKeyVQDSDFLZHVBVKM-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
CID 14882034
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946
benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate
CID 107254776
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylate
CID 168979000

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate (CID 107254987) is benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate is CC1CCC(NCC2CN(C(=O)OCc3ccccc3)CCO2)C1.
What is the InChIKey of benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is VQDSDFLZHVBVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-7-8-17(11-15)20-12-18-13-21(9-10-23-18)19(22)24-14-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3.
What are the key properties of benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate?
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107254987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).