2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid

C16H32N2O2 — CID 106805763

IUPAC2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
SMILESCCCN(CCCC(CC)(NC1CC1)C(=O)O)C(C)C
InChIInChI=1S/C16H32N2O2/c1-5-11-18(13(3)4)12-7-10-16(6-2,15(19)20)17-14-8-9-14/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyIWJMXYFPUJVRCC-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds11

About 2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid

2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid (PubChem CID 106805763) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
PubChem CID106805763
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
SMILESCCCN(CCCC(CC)(NC1CC1)C(=O)O)C(C)C
InChIInChI=1S/C16H32N2O2/c1-5-11-18(13(3)4)12-7-10-16(6-2,15(19)20)17-14-8-9-14/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyIWJMXYFPUJVRCC-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806056
2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid
CID 106806182
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid
CID 106806318
2-amino-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 106805764
2-(cyclopropylamino)-2-methyl-5-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827354
2-(cyclopropylamino)-2-ethyl-5-(2-hydroxyethylsulfanyl)pentanoic acid
CID 106807263
5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid
CID 106807115
2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 106806245
2-(cyclopropylamino)-2-ethyl-5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 106803291
2-(cyclopropylamino)-4-[propan-2-yl(propyl)amino]butanoic acid
CID 63028053
2-(cyclopropylamino)-2-ethyl-5-(2-propan-2-ylimidazol-1-yl)pentanoic acid
CID 106806565

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid (CID 106805763) is 2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid is CCCN(CCCC(CC)(NC1CC1)C(=O)O)C(C)C.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid?
The InChIKey is IWJMXYFPUJVRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-11-18(13(3)4)12-7-10-16(6-2,15(19)20)17-14-8-9-14/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid?
2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid is sourced from PubChem (CID 106805763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).