4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid

C15H30N2O3 — CID 64709693

IUPAC4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCOCCN(C(C)CC(C)(NC(C)C)C(=O)O)C1CC1
InChIInChI=1S/C15H30N2O3/c1-11(2)16-15(4,14(18)19)10-12(3)17(8-9-20-5)13-6-7-13/h11-13,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyIFYGEHPILIHGMV-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.72
Rot. Bonds10

About 4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid

4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 64709693) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID64709693
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCOCCN(C(C)CC(C)(NC(C)C)C(=O)O)C1CC1
InChIInChI=1S/C15H30N2O3/c1-11(2)16-15(4,14(18)19)10-12(3)17(8-9-20-5)13-6-7-13/h11-13,16H,6-10H2,1-5H3,(H,18,19)
InChIKeyIFYGEHPILIHGMV-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64711835
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
2-(cyclopropylamino)-4-[ethyl(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64710862
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 81074022
methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728349
4-[cyclopropyl(2-methoxyethyl)amino]pentan-2-ol
CID 64720380
2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile
CID 64728287

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 64709693) is 4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid is COCCN(C(C)CC(C)(NC(C)C)C(=O)O)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is IFYGEHPILIHGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(2)16-15(4,14(18)19)10-12(3)17(8-9-20-5)13-6-7-13/h11-13,16H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 64709693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).