2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid

C9H18N2O3 — CID 61479125

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
SMILESCC(C)C(CN(C)C)NC(=O)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)7(5-11(3)4)10-8(12)9(13)14/h6-7H,5H2,1-4H3,(H,10,12)(H,13,14)
InChIKeyNLAHUTQHYWCQQH-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.23
Rot. Bonds4

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid (PubChem CID 61479125) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
PubChem CID61479125
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
SMILESCC(C)C(CN(C)C)NC(=O)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)7(5-11(3)4)10-8(12)9(13)14/h6-7H,5H2,1-4H3,(H,10,12)(H,13,14)
InChIKeyNLAHUTQHYWCQQH-UHFFFAOYSA-N
XLogP-0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate
CID 61478574
5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 55156179
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylamino)propanamide
CID 62639532
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]acetic acid
CID 61480028
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 54958910
1-tert-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
CID 115585870
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782296
2-(5-methylhexan-2-ylamino)-2-oxoacetic acid
CID 63925332
2-[butan-2-yl-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]amino]acetic acid
CID 61479072
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
CID 61479113
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390830
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822020

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid (CID 61479125) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid is CC(C)C(CN(C)C)NC(=O)C(=O)O.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid?
The InChIKey is NLAHUTQHYWCQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)7(5-11(3)4)10-8(12)9(13)14/h6-7H,5H2,1-4H3,(H,10,12)(H,13,14).
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid has a molecular weight of 202.25 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 61479125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).