4-[methyl(pentan-3-yl)amino]pentanoic acid

C11H23NO2 — CID 62213096

IUPAC4-[methyl(pentan-3-yl)amino]pentanoic acid
SMILESCCC(CC)N(C)C(C)CCC(=O)O
InChIInChI=1S/C11H23NO2/c1-5-10(6-2)12(4)9(3)7-8-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyXTXRCDSPHNAUCL-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.36
Rot. Bonds7

About 4-[methyl(pentan-3-yl)amino]pentanoic acid

4-[methyl(pentan-3-yl)amino]pentanoic acid (PubChem CID 62213096) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[methyl(pentan-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[methyl(pentan-3-yl)amino]pentanoic acid
PubChem CID62213096
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-[methyl(pentan-3-yl)amino]pentanoic acid
SMILESCCC(CC)N(C)C(C)CCC(=O)O
InChIInChI=1S/C11H23NO2/c1-5-10(6-2)12(4)9(3)7-8-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyXTXRCDSPHNAUCL-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
4-[ethyl(methyl)amino]pentanoic acid
CID 62214342
4-[2-hydroxypropyl(methyl)amino]pentanoic acid
CID 62332604
3-[methyl(pentan-3-yl)amino]propanoic acid
CID 43571317
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247
2-[methyl(pentan-3-yl)amino]propan-1-ol
CID 104554038
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
4-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 62213989
(4S)-4-hydroxyhexanoic acid
CID 14057564
3-[1-hydroxybutan-2-yl(methyl)amino]propanoic acid
CID 82328726

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pentan-3-yl)amino]pentanoic acid?
The IUPAC name of 4-[methyl(pentan-3-yl)amino]pentanoic acid (CID 62213096) is 4-[methyl(pentan-3-yl)amino]pentanoic acid.
What is the SMILES notation for 4-[methyl(pentan-3-yl)amino]pentanoic acid?
The canonical SMILES for 4-[methyl(pentan-3-yl)amino]pentanoic acid is CCC(CC)N(C)C(C)CCC(=O)O.
What is the InChIKey of 4-[methyl(pentan-3-yl)amino]pentanoic acid?
The InChIKey is XTXRCDSPHNAUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-10(6-2)12(4)9(3)7-8-11(13)14/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 4-[methyl(pentan-3-yl)amino]pentanoic acid?
4-[methyl(pentan-3-yl)amino]pentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pentan-3-yl)amino]pentanoic acid is sourced from PubChem (CID 62213096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).