2-methyl-2-(oxolan-3-ylamino)butanoic acid

C9H17NO3 — CID 79789858

IUPAC2-methyl-2-(oxolan-3-ylamino)butanoic acid
SMILESCCC(C)(NC1CCOC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-3-9(2,8(11)12)10-7-4-5-13-6-7/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeySKEWWSGQEXAIRA-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds4

About 2-methyl-2-(oxolan-3-ylamino)butanoic acid

2-methyl-2-(oxolan-3-ylamino)butanoic acid (PubChem CID 79789858) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methyl-2-(oxolan-3-ylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxolan-3-ylamino)butanoic acid
PubChem CID79789858
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-methyl-2-(oxolan-3-ylamino)butanoic acid
SMILESCCC(C)(NC1CCOC1)C(=O)O
InChIInChI=1S/C9H17NO3/c1-3-9(2,8(11)12)10-7-4-5-13-6-7/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeySKEWWSGQEXAIRA-UHFFFAOYSA-N
XLogP0.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(oxolan-3-ylamino)pentanoic acid
CID 63557368
2-(cyclobutylamino)-2-methylbutanoic acid
CID 82239300
2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 78969295
2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
CID 79801618
2-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79899395
2-[(4-carbamoylcyclohexyl)amino]-2-methylbutanoic acid
CID 114991643
N-tert-butyloxolan-3-amine
CID 58109887
2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
CID 82238992
2-methyl-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120686254
2-amino-2-ethyl-N-(oxolan-3-yl)butanamide
CID 80712528
2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 58469645
2-cyclopropyl-2-(oxolan-3-ylamino)propan-1-ol
CID 115927733

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxolan-3-ylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(oxolan-3-ylamino)butanoic acid (CID 79789858) is 2-methyl-2-(oxolan-3-ylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(oxolan-3-ylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(oxolan-3-ylamino)butanoic acid is CCC(C)(NC1CCOC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(oxolan-3-ylamino)butanoic acid?
The InChIKey is SKEWWSGQEXAIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-9(2,8(11)12)10-7-4-5-13-6-7/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(oxolan-3-ylamino)butanoic acid?
2-methyl-2-(oxolan-3-ylamino)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxolan-3-ylamino)butanoic acid is sourced from PubChem (CID 79789858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).