2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid

C16H33N3O2 — CID 64725762

IUPAC2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
SMILESCCCN1CCN(C(C)CC(C)(NC(C)C)C(=O)O)CC1
InChIInChI=1S/C16H33N3O2/c1-6-7-18-8-10-19(11-9-18)14(4)12-16(5,15(20)21)17-13(2)3/h13-14,17H,6-12H2,1-5H3,(H,20,21)
InChIKeyURXGNFHSIMEVOI-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.63
Rot. Bonds8

About 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid

2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid (PubChem CID 64725762) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
PubChem CID64725762
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
SMILESCCCN1CCN(C(C)CC(C)(NC(C)C)C(=O)O)CC1
InChIInChI=1S/C16H33N3O2/c1-6-7-18-8-10-19(11-9-18)14(4)12-16(5,15(20)21)17-13(2)3/h13-14,17H,6-12H2,1-5H3,(H,20,21)
InChIKeyURXGNFHSIMEVOI-UHFFFAOYSA-N
XLogP1.63
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanamide
CID 64726163
2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpiperazin-1-yl)pentanoic acid
CID 114539433
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
1-amino-2-methyl-4-(4-propylpiperazin-1-yl)pentan-2-ol
CID 64820469
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065
2-methyl-2-(propylamino)-4-(4-propylpiperazin-1-yl)pentan-1-ol
CID 64796479
4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107394689
4-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 64711857
4-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylbutanoic acid
CID 65248291
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
CID 64704032
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid (CID 64725762) is 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid is CCCN1CCN(C(C)CC(C)(NC(C)C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid?
The InChIKey is URXGNFHSIMEVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-6-7-18-8-10-19(11-9-18)14(4)12-16(5,15(20)21)17-13(2)3/h13-14,17H,6-12H2,1-5H3,(H,20,21).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid?
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid has a molecular weight of 299.46 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 64725762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).