benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate

C19H27NO3 — CID 143085750

IUPACbenzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate
SMILESCC1COCCC1N[C@@H]1CCC(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H27NO3/c1-14-12-22-10-9-18(14)20-17-8-7-16(11-17)19(21)23-13-15-5-3-2-4-6-15/h2-6,14,16-18,20H,7-13H2,1H3/t14?,16?,17-,18?/m1/s1
InChIKeyLBHJCDVFWBVOIA-WMWXFNABSA-N
MW317.43 g/mol
LogP2.91
Rot. Bonds5

About benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate

benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate (PubChem CID 143085750) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate
PubChem CID143085750
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namebenzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate
SMILESCC1COCCC1N[C@@H]1CCC(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H27NO3/c1-14-12-22-10-9-18(14)20-17-8-7-16(11-17)19(21)23-13-15-5-3-2-4-6-15/h2-6,14,16-18,20H,7-13H2,1H3/t14?,16?,17-,18?/m1/s1
InChIKeyLBHJCDVFWBVOIA-WMWXFNABSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-[(3-methoxyoxan-4-yl)amino]cyclopentane-1-carboxylate;ethane;propane
CID 142943067
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl (3S,5S)-5-methyloxolane-3-carboxylate
CID 102519565
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
benzyl N-[3-[(2-methylcycloheptyl)amino]cyclobutyl]carbamate
CID 103393513
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
benzyl N-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 134454025
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl]carbamate
CID 121422057
benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746
benzyl 3-(propan-2-ylideneamino)cyclopentane-1-carboxylate
CID 23533654
(3R,4S)-N-benzyl-3-methyloxan-4-amine
CID 121252774

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate?
The IUPAC name of benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate (CID 143085750) is benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate is CC1COCCC1N[C@@H]1CCC(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate?
The InChIKey is LBHJCDVFWBVOIA-WMWXFNABSA-N. The full InChI is InChI=1S/C19H27NO3/c1-14-12-22-10-9-18(14)20-17-8-7-16(11-17)19(21)23-13-15-5-3-2-4-6-15/h2-6,14,16-18,20H,7-13H2,1H3/t14?,16?,17-,18?/m1/s1.
What are the key properties of benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate?
benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-[(3-methyloxan-4-yl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 143085750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).