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

C14H30N2O2 — CID 64725842

IUPAC2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(C)CC(C)C)C(=O)O
InChIInChI=1S/C14H30N2O2/c1-7-8-15-14(5,13(17)18)9-12(4)16(6)10-11(2)3/h11-12,15H,7-10H2,1-6H3,(H,17,18)
InChIKeyREMWVFNJDZMNPO-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.20
Rot. Bonds9

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

2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid (PubChem CID 64725842) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
PubChem CID64725842
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N(C)CC(C)C)C(=O)O
InChIInChI=1S/C14H30N2O2/c1-7-8-15-14(5,13(17)18)9-12(4)16(6)10-11(2)3/h11-12,15H,7-10H2,1-6H3,(H,17,18)
InChIKeyREMWVFNJDZMNPO-UHFFFAOYSA-N
XLogP2.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
CID 64726233
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
4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64726647
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoic acid
CID 107756173
5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63466519
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
CID 64710483
2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
CID 115002535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid?
The IUPAC name of 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid (CID 64725842) is 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid?
The canonical SMILES for 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)N(C)CC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid?
The InChIKey is REMWVFNJDZMNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-8-15-14(5,13(17)18)9-12(4)16(6)10-11(2)3/h11-12,15H,7-10H2,1-6H3,(H,17,18).
What are the key properties of 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid?
2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid has a molecular weight of 258.41 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64725842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).