4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid

C12H26N2O2 — CID 64727424

IUPAC4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(C)CC)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-6-8-13-12(4,11(15)16)9-10(3)14(5)7-2/h10,13H,6-9H2,1-5H3,(H,15,16)
InChIKeyPSFYQTZQEZUKCD-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.56
Rot. Bonds8

About 4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid

4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 64727424) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
PubChem CID64727424
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(C)CC)C(=O)O
InChIInChI=1S/C12H26N2O2/c1-6-8-13-12(4,11(15)16)9-10(3)14(5)7-2/h10,13H,6-9H2,1-5H3,(H,15,16)
InChIKeyPSFYQTZQEZUKCD-UHFFFAOYSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64726647
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
CID 64710483
2-methyl-4-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentanoic acid
CID 64705224
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
CID 64708806
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
CID 115002535

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid (CID 64727424) is 4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)N(C)CC)C(=O)O.
What is the InChIKey of 4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is PSFYQTZQEZUKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-8-13-12(4,11(15)16)9-10(3)14(5)7-2/h10,13H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 230.35 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64727424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).