2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid

C9H17NO3 — CID 83143356

IUPAC2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
SMILESCC(CNC(=O)C(=O)O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6(9(2,3)4)5-10-7(11)8(12)13/h6H,5H2,1-4H3,(H,10,11)(H,12,13)
InChIKeyXACLPJXGEVOQQQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.87
Rot. Bonds2

About 2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid

2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid (PubChem CID 83143356) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
PubChem CID83143356
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
SMILESCC(CNC(=O)C(=O)O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6(9(2,3)4)5-10-7(11)8(12)13/h6H,5H2,1-4H3,(H,10,11)(H,12,13)
InChIKeyXACLPJXGEVOQQQ-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
2-(2-methylbutylamino)-2-oxoacetic acid
CID 62693347
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
3-methyl-2-sulfanyl-N-(2,3,3-trimethylbutyl)butanamide
CID 107034108
2-(methylamino)-N-(2,3,3-trimethylbutyl)propanamide
CID 83143044
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141302
(E)-N-(2,3,3-trimethylbutyl)but-2-enamide
CID 78965876
2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 83144191
4-methyl-2-[(2,3,3-trimethylbutylcarbamoylamino)methyl]pentanoic acid
CID 83143719
4-(2,3,3-trimethylbutylcarbamoylamino)butanoic acid
CID 83143236

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid?
The IUPAC name of 2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid (CID 83143356) is 2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid is CC(CNC(=O)C(=O)O)C(C)(C)C.
What is the InChIKey of 2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid?
The InChIKey is XACLPJXGEVOQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(9(2,3)4)5-10-7(11)8(12)13/h6H,5H2,1-4H3,(H,10,11)(H,12,13).
What are the key properties of 2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid?
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid has a molecular weight of 187.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid is sourced from PubChem (CID 83143356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).