2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid

C10H18N2O4 — CID 116536490

IUPAC2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid
SMILESCN(CC(N)=O)C(=O)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H18N2O4/c1-10(2,3)7(9(15)16)8(14)12(4)5-6(11)13/h7H,5H2,1-4H3,(H2,11,13)(H,15,16)
InChIKeyAKRONIBFPRUFGE-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.32
Rot. Bonds4

About 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid

2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid (PubChem CID 116536490) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid
PubChem CID116536490
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid
SMILESCN(CC(N)=O)C(=O)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H18N2O4/c1-10(2,3)7(9(15)16)8(14)12(4)5-6(11)13/h7H,5H2,1-4H3,(H2,11,13)(H,15,16)
InChIKeyAKRONIBFPRUFGE-UHFFFAOYSA-N
XLogP-0.32
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-2-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]butanoic acid
CID 116537193
3,3-dimethyl-2-[methyl(pentan-3-yl)carbamoyl]butanoic acid
CID 116536760
3-amino-N-(2-amino-2-oxoethyl)-N,2,2,3-tetramethylbutanamide
CID 65264440
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 79025132
2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 43649583
2-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536977
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 61198805
2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid
CID 139777185
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
2-[ethyl(2-methylpropyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536720

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid (CID 116536490) is 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid is CN(CC(N)=O)C(=O)C(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid?
The InChIKey is AKRONIBFPRUFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)7(9(15)16)8(14)12(4)5-6(11)13/h7H,5H2,1-4H3,(H2,11,13)(H,15,16).
What are the key properties of 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid?
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 116536490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).