methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate

C12H23NO4 — CID 79649404

IUPACmethyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate
SMILESCCCOCCOC1CCC(N)(C(=O)OC)C1
InChIInChI=1S/C12H23NO4/c1-3-6-16-7-8-17-10-4-5-12(13,9-10)11(14)15-2/h10H,3-9,13H2,1-2H3
InChIKeyPKAAPYNFSHPAPR-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.85
Rot. Bonds7

About methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate

methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate (PubChem CID 79649404) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate
PubChem CID79649404
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate
SMILESCCCOCCOC1CCC(N)(C(=O)OC)C1
InChIInChI=1S/C12H23NO4/c1-3-6-16-7-8-17-10-4-5-12(13,9-10)11(14)15-2/h10H,3-9,13H2,1-2H3
InChIKeyPKAAPYNFSHPAPR-UHFFFAOYSA-N
XLogP0.85
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid
CID 104565132
ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
CID 79649290
ethyl 1-amino-3-butoxycyclopentane-1-carboxylate
CID 79648394
methyl 1-amino-3-(2-cyclopropylethoxy)cyclohexane-1-carboxylate
CID 106204408
1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79637126
methyl 1-amino-3-(2-ethylbutoxy)cyclohexane-1-carboxylate
CID 114208559
[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol
CID 104567705
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
methyl 1-(ethylamino)-3-[3-(2-methoxyethoxy)propoxy]cyclopentane-1-carboxylate
CID 103404908
methyl 1-amino-3-fluorocyclopentane-1-carboxylate
CID 115012639
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
CID 79648618

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate (CID 79649404) is methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate is CCCOCCOC1CCC(N)(C(=O)OC)C1.
What is the InChIKey of methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate?
The InChIKey is PKAAPYNFSHPAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-6-16-7-8-17-10-4-5-12(13,9-10)11(14)15-2/h10H,3-9,13H2,1-2H3.
What are the key properties of methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate?
methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).