2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid

C15H31N3O2 — CID 106806209

IUPAC2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid
SMILESCCN(CC)C1CCN(CCCC(N)(CC)C(=O)O)C1
InChIInChI=1S/C15H31N3O2/c1-4-15(16,14(19)20)9-7-10-17-11-8-13(12-17)18(5-2)6-3/h13H,4-12,16H2,1-3H3,(H,19,20)
InChIKeyAPRNVFAAFZSEST-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.37
Rot. Bonds9

About 2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid

2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid (PubChem CID 106806209) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid
PubChem CID106806209
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid
SMILESCCN(CC)C1CCN(CCCC(N)(CC)C(=O)O)C1
InChIInChI=1S/C15H31N3O2/c1-4-15(16,14(19)20)9-7-10-17-11-8-13(12-17)18(5-2)6-3/h13H,4-12,16H2,1-3H3,(H,19,20)
InChIKeyAPRNVFAAFZSEST-UHFFFAOYSA-N
XLogP1.37
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165258
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-amino-2-ethylpentanoic acid
CID 106806403
1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
CID 64820510
2-amino-2-ethyl-5-(4-propylazepan-1-yl)pentanoic acid
CID 106806311
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258683
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine
CID 63169734
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
3-[3-(diethylamino)piperidin-1-yl]propanoic acid
CID 83840059
2-amino-2-ethyl-5-(2-propan-2-ylpyrrolidin-1-yl)pentanoic acid
CID 106806356

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid?
The IUPAC name of 2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid (CID 106806209) is 2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid.
What is the SMILES notation for 2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid?
The canonical SMILES for 2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid is CCN(CC)C1CCN(CCCC(N)(CC)C(=O)O)C1.
What is the InChIKey of 2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid?
The InChIKey is APRNVFAAFZSEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-15(16,14(19)20)9-7-10-17-11-8-13(12-17)18(5-2)6-3/h13H,4-12,16H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid?
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid has a molecular weight of 285.43 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-ethylpentanoic acid is sourced from PubChem (CID 106806209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).