2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid

C9H17NO4 — CID 114899712

IUPAC2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
SMILESCC(C)OCCC(C)(C(N)=O)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(2)14-5-4-9(3,7(10)11)8(12)13/h6H,4-5H2,1-3H3,(H2,10,11)(H,12,13)
InChIKeyVYPWOKDUCDDJTJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.38
Rot. Bonds6

About 2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid

2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid (PubChem CID 114899712) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid.

Molecular Properties

Compound Name2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
PubChem CID114899712
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
SMILESCC(C)OCCC(C)(C(N)=O)C(=O)O
InChIInChI=1S/C9H17NO4/c1-6(2)14-5-4-9(3,7(10)11)8(12)13/h6H,4-5H2,1-3H3,(H2,10,11)(H,12,13)
InChIKeyVYPWOKDUCDDJTJ-UHFFFAOYSA-N
XLogP0.38
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.38
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

2-carbamoyl-4-ethoxy-2-methylbutanoic acid
CID 114899702
2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid
CID 59323519
3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid
CID 83138589
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2,2-dimethyl-4-propan-2-yloxybutan-1-ol
CID 66023618
2-methyl-2-(2-propan-2-yloxyethylsulfinyl)propanoic acid
CID 81228339
2-propan-2-yloxyethyl 3-methoxy-2,2,3-trimethylbutanoate
CID 123886318
2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanamide
CID 81061565
2-(aminomethyl)-2-methyl-4-propan-2-yloxybutan-1-ol
CID 106506251
3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid
CID 106931571
2-propan-2-yloxyethyl 2-methyl-2-(3-methylpentan-3-yloxy)propanoate
CID 123797837

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid?
The IUPAC name of 2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid (CID 114899712) is 2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid.
What is the SMILES notation for 2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid?
The canonical SMILES for 2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid is CC(C)OCCC(C)(C(N)=O)C(=O)O.
What is the InChIKey of 2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid?
The InChIKey is VYPWOKDUCDDJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(2)14-5-4-9(3,7(10)11)8(12)13/h6H,4-5H2,1-3H3,(H2,10,11)(H,12,13).
What are the key properties of 2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid?
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid is sourced from PubChem (CID 114899712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).