2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid

C14H28N2O3 — CID 106806557

IUPAC2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid
SMILESCCNC(CC)(CCCN1CCC(OC)C1)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-14(13(17)18,15-5-2)8-6-9-16-10-7-12(11-16)19-3/h12,15H,4-11H2,1-3H3,(H,17,18)
InChIKeyZQLWTTDNGAZBKF-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.33
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid

2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid (PubChem CID 106806557) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid
PubChem CID106806557
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid
SMILESCCNC(CC)(CCCN1CCC(OC)C1)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-14(13(17)18,15-5-2)8-6-9-16-10-7-12(11-16)19-3/h12,15H,4-11H2,1-3H3,(H,17,18)
InChIKeyZQLWTTDNGAZBKF-UHFFFAOYSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-ethylpyrrolidine-2-carboxylate
CID 58405851
isopropyl (R)-2-isobutylpyrrolidine-2-carboxylate
CID 171394207
isopropyl (R)-2-isopropylpyrrolidine-2-carboxylate
CID 171394209
(2S)-4-[(2S,3S)-2-amino-3-methylpentanoyl]oxypyrrolidine-2-carboxylic acid
CID 57197927
methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate
CID 58681436
(2S,4R)-4-(2-propylpentanoyloxy)pyrrolidine-2-carboxylic acid
CID 58732129
methyl (2S,3R)-3-hydroxy-2-methylpyrrolidine-2-carboxylate
CID 59520075
methyl (4R)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate
CID 59997477
(4R)-4-(2-propylpentanoyloxy)pyrrolidine-2-carboxylic acid
CID 67493828
methyl (2R)-4-hydroxy-2-methylpyrrolidine-2-carboxylate;hydrochloride
CID 68454011
methyl (2R)-4-hydroxy-2-methylpyrrolidine-2-carboxylate
CID 68454012
methyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-2-carboxylate
CID 68817608

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid (CID 106806557) is 2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid is CCNC(CC)(CCCN1CCC(OC)C1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid?
The InChIKey is ZQLWTTDNGAZBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-14(13(17)18,15-5-2)8-6-9-16-10-7-12(11-16)19-3/h12,15H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid?
2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 106806557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).