2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid

C9H18N2O3 — CID 43468179

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NCC(=O)N(C)C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)8(9(13)14)10-5-7(12)11(3)4/h6,8,10H,5H2,1-4H3,(H,13,14)
InChIKeyQCMGDTUALNXCDG-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.23
Rot. Bonds5

About 2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid

2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid (PubChem CID 43468179) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
PubChem CID43468179
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NCC(=O)N(C)C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)8(9(13)14)10-5-7(12)11(3)4/h6,8,10H,5H2,1-4H3,(H,13,14)
InChIKeyQCMGDTUALNXCDG-UHFFFAOYSA-N
XLogP-0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468491
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758
N,N-dimethyl-2-(2-methylpentan-3-ylamino)acetamide
CID 43775382
N,N-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905460
N,N-dimethyl-2-(4-methylpentan-2-ylamino)acetamide
CID 43310901
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468727
2-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylbutanoic acid
CID 106439197
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylpentanoic acid
CID 61197820
2-(2-hydroxypropylamino)-3-methylbutanoic acid
CID 21121256
(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
CID 122124273
(2S)-2-[[(2R)-2-hydroxypropyl]amino]-3-methylbutanoic acid
CID 58703522

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid (CID 43468179) is 2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid is CC(C)C(NCC(=O)N(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid?
The InChIKey is QCMGDTUALNXCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)8(9(13)14)10-5-7(12)11(3)4/h6,8,10H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid?
2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 43468179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).