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

C15H27N3O2 — CID 64707106

IUPAC2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid
SMILESCCCc1nccn1C(C)CC(C)(NC(C)C)C(=O)O
InChIInChI=1S/C15H27N3O2/c1-6-7-13-16-8-9-18(13)12(4)10-15(5,14(19)20)17-11(2)3/h8-9,11-12,17H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyJNRXCGWRRXDTJR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.63
Rot. Bonds8

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

2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid (PubChem CID 64707106) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid
PubChem CID64707106
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid
SMILESCCCc1nccn1C(C)CC(C)(NC(C)C)C(=O)O
InChIInChI=1S/C15H27N3O2/c1-6-7-13-16-8-9-18(13)12(4)10-15(5,14(19)20)17-11(2)3/h8-9,11-12,17H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyJNRXCGWRRXDTJR-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703484
4-(4,5-dimethylimidazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64708137
2-methyl-4-(2-methylimidazol-1-yl)-2-(propan-2-ylamino)pentanamide
CID 64704686
methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate
CID 64704256
2-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-(propan-2-ylamino)pentanoic acid
CID 64709872
2-ethyl-2-(propan-2-ylamino)-5-(2-propylimidazol-1-yl)pentanoic acid
CID 106806662
4-(4-chloro-3-methylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64708146
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutanoic acid
CID 79801645
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64705630
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64703087
2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide
CID 64704254
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperazin-1-yl)pentanoic acid
CID 64725762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid (CID 64707106) is 2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid is CCCc1nccn1C(C)CC(C)(NC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid?
The InChIKey is JNRXCGWRRXDTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-7-13-16-8-9-18(13)12(4)10-15(5,14(19)20)17-11(2)3/h8-9,11-12,17H,6-7,10H2,1-5H3,(H,19,20).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid?
2-methyl-2-(propan-2-ylamino)-4-(2-propylimidazol-1-yl)pentanoic acid has a molecular weight of 281.40 g/mol, XLogP of 2.63, 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-(2-propylimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 64707106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).