2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid

C17H34N2O2 — CID 114596369

IUPAC2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
SMILESCC1CC(C)C(C)N(C(C)CC(C)(NC(C)C)C(=O)O)C1
InChIInChI=1S/C17H34N2O2/c1-11(2)18-17(7,16(20)21)9-14(5)19-10-12(3)8-13(4)15(19)6/h11-15,18H,8-10H2,1-7H3,(H,20,21)
InChIKeyZSHHFZFPKDSMJS-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.97
Rot. Bonds6

About 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid

2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid (PubChem CID 114596369) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
PubChem CID114596369
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
SMILESCC1CC(C)C(C)N(C(C)CC(C)(NC(C)C)C(=O)O)C1
InChIInChI=1S/C17H34N2O2/c1-11(2)18-17(7,16(20)21)9-14(5)19-10-12(3)8-13(4)15(19)6/h11-15,18H,8-10H2,1-7H3,(H,20,21)
InChIKeyZSHHFZFPKDSMJS-UHFFFAOYSA-N
XLogP2.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(ethylamino)-2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)pentanoate
CID 114596468
2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
CID 114539433
2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114596342
methyl 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596359
2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
CID 114593995
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64712033
2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 114593963
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597558
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
CID 64725762
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 82752804
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64711245
6-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methyl-2-(propan-2-ylamino)hexanoic acid
CID 104968568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid (CID 114596369) is 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid is CC1CC(C)C(C)N(C(C)CC(C)(NC(C)C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
The InChIKey is ZSHHFZFPKDSMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-11(2)18-17(7,16(20)21)9-14(5)19-10-12(3)8-13(4)15(19)6/h11-15,18H,8-10H2,1-7H3,(H,20,21).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid has a molecular weight of 298.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 114596369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).