4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid

C13H27NO2 — CID 114868055

IUPAC4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid
SMILESCCCNC(CC(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-6-7-14-13(12(15)16,8-10(2)3)9-11(4)5/h10-11,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyRRGRFWNFAXOTAC-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.90
Rot. Bonds8

About 4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid

4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid (PubChem CID 114868055) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid
PubChem CID114868055
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid
SMILESCCCNC(CC(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-6-7-14-13(12(15)16,8-10(2)3)9-11(4)5/h10-11,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyRRGRFWNFAXOTAC-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868053
4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid
CID 114868050
2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807111
2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
CID 114994123
2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoic acid
CID 64725842
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoic acid
CID 107756173
2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
2-ethyl-2-(2-propan-2-ylsulfonylethylamino)butanoic acid
CID 106727638
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
CID 64708806
4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64726647

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid (CID 114868055) is 4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid is CCCNC(CC(C)C)(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid?
The InChIKey is RRGRFWNFAXOTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-7-14-13(12(15)16,8-10(2)3)9-11(4)5/h10-11,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid?
4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid has a molecular weight of 229.36 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid is sourced from PubChem (CID 114868055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).