methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate

C16H29NO3 — CID 71088341

IUPACmethyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@@]1(C(C)C)CCC(N(C)C2CCOCC2)C1
InChIInChI=1S/C16H29NO3/c1-12(2)16(15(18)19-4)8-5-14(11-16)17(3)13-6-9-20-10-7-13/h12-14H,5-11H2,1-4H3/t14?,16-/m0/s1
InChIKeyZJDAKTIPHCPUJD-WMCAAGNKSA-N
MW283.41 g/mol
LogP2.47
Rot. Bonds4

About methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate

methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 71088341) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate
PubChem CID71088341
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@@]1(C(C)C)CCC(N(C)C2CCOCC2)C1
InChIInChI=1S/C16H29NO3/c1-12(2)16(15(18)19-4)8-5-14(11-16)17(3)13-6-9-20-10-7-13/h12-14H,5-11H2,1-4H3/t14?,16-/m0/s1
InChIKeyZJDAKTIPHCPUJD-WMCAAGNKSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654981
methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743325
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655558
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743319
methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate
CID 79654658
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate
CID 82743238
ethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743477
[3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79655803
1-(methylamino)-4-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
CID 117039603
[1-(ethylamino)-3-[methyl(oxan-4-yl)amino]cyclohexyl]methanol
CID 79641104
N-cyclopropyl-2-methyl-N-(oxan-4-yl)propanamide
CID 110873026

Frequently Asked Questions

What is the IUPAC name of methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate (CID 71088341) is methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate is COC(=O)[C@@]1(C(C)C)CCC(N(C)C2CCOCC2)C1.
What is the InChIKey of methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is ZJDAKTIPHCPUJD-WMCAAGNKSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12(2)16(15(18)19-4)8-5-14(11-16)17(3)13-6-9-20-10-7-13/h12-14H,5-11H2,1-4H3/t14?,16-/m0/s1.
What are the key properties of methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate?
methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 71088341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).