2-amino-2-(dimethylamino)pentanoic acid

C7H16N2O2 — CID 87316301

IUPAC2-amino-2-(dimethylamino)pentanoic acid
SMILESCCCC(N)(C(=O)O)N(C)C
InChIInChI=1S/C7H16N2O2/c1-4-5-7(8,6(10)11)9(2)3/h4-5,8H2,1-3H3,(H,10,11)
InChIKeyCFWCONPHNQLDMB-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.09
Rot. Bonds4

About 2-amino-2-(dimethylamino)pentanoic acid

2-amino-2-(dimethylamino)pentanoic acid (PubChem CID 87316301) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-amino-2-(dimethylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-(dimethylamino)pentanoic acid
PubChem CID87316301
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name2-amino-2-(dimethylamino)pentanoic acid
SMILESCCCC(N)(C(=O)O)N(C)C
InChIInChI=1S/C7H16N2O2/c1-4-5-7(8,6(10)11)9(2)3/h4-5,8H2,1-3H3,(H,10,11)
InChIKeyCFWCONPHNQLDMB-UHFFFAOYSA-N
XLogP0.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(dimethylamino)butanoic acid
CID 88610523
(2S)-2,6-diamino-2-(dimethylamino)hexanoic acid
CID 151285535
2-amino-2-[methyl(pentyl)amino]-3-sulfanylpropanoic acid
CID 175305283
2-amino-2-[bis(carboxymethyl)amino]hexanoic acid
CID 18668446
(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
CID 118963176
2-amino-2-methylsulfanylpentanoic acid
CID 175192194
(2S)-2-amino-2-(sulfanylmethyl)pentanoic acid
CID 87814836
2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
CID 87233071
(2R)-2-amino-2-[amino(ethyl)amino]tetradecanoic acid;hydrochloride
CID 87200728
2-amino-2-(dimethylamino)pentanoic acid;(Z,12R)-12-hydroxyoctadec-9-enoic acid;2-(trimethylazaniumyl)acetate
CID 88853018
(2R)-2-amino-2-(dimethylamino)propanoic acid
CID 91435944
3-amino-3-propylhexanoic acid
CID 64665150

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(dimethylamino)pentanoic acid?
The IUPAC name of 2-amino-2-(dimethylamino)pentanoic acid (CID 87316301) is 2-amino-2-(dimethylamino)pentanoic acid.
What is the SMILES notation for 2-amino-2-(dimethylamino)pentanoic acid?
The canonical SMILES for 2-amino-2-(dimethylamino)pentanoic acid is CCCC(N)(C(=O)O)N(C)C.
What is the InChIKey of 2-amino-2-(dimethylamino)pentanoic acid?
The InChIKey is CFWCONPHNQLDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-4-5-7(8,6(10)11)9(2)3/h4-5,8H2,1-3H3,(H,10,11).
What are the key properties of 2-amino-2-(dimethylamino)pentanoic acid?
2-amino-2-(dimethylamino)pentanoic acid has a molecular weight of 160.22 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(dimethylamino)pentanoic acid is sourced from PubChem (CID 87316301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).