2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid

C16H32N2O2 — CID 106806550

IUPAC2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
SMILESCCC(CCCN1CCC(C(C)C)CC1)(NC)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-16(17-4,15(19)20)9-6-10-18-11-7-14(8-12-18)13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyCSHKOSMLIIYHRD-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.59
Rot. Bonds8

About 2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid

2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid (PubChem CID 106806550) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
PubChem CID106806550
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid
SMILESCCC(CCCN1CCC(C(C)C)CC1)(NC)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-16(17-4,15(19)20)9-6-10-18-11-7-14(8-12-18)13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyCSHKOSMLIIYHRD-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106805828
5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106806468
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805845
5-(3,5-dimethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805593
2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
CID 106806196
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806515
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805830
2-(cyclopropylamino)-2-ethyl-5-(4-methylazepan-1-yl)pentanoic acid
CID 106806245
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805876
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
2-ethyl-2-(ethylamino)-5-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 106806557

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid (CID 106806550) is 2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid is CCC(CCCN1CCC(C(C)C)CC1)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid?
The InChIKey is CSHKOSMLIIYHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-16(17-4,15(19)20)9-6-10-18-11-7-14(8-12-18)13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid?
2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(4-propan-2-ylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 106806550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).