2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid

C12H22N2O3 — CID 103929702

IUPAC2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)10(13)11(17)14-6-4-5-8(14)7-9(15)16/h8,10H,4-7,13H2,1-3H3,(H,15,16)/t8?,10-/m0/s1
InChIKeyAJXJIOPLAGCVBR-HTLJXXAVSA-N
MW242.32 g/mol
LogP0.83
Rot. Bonds3

About 2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 103929702) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid
PubChem CID103929702
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)10(13)11(17)14-6-4-5-8(14)7-9(15)16/h8,10H,4-7,13H2,1-3H3,(H,15,16)/t8?,10-/m0/s1
InChIKeyAJXJIOPLAGCVBR-HTLJXXAVSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 61165533
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077
2-[(2S)-1-[(2S)-2-methylsulfanylpropanoyl]pyrrolidin-2-yl]acetic acid
CID 129468360
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidin-2-yl]acetic acid
CID 80549892
phosphanylmethyl 1-(2-amino-3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 70822851
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid
CID 61372651
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 114111582
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
CID 115867296
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid (CID 103929702) is 2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid is CC(C)(C)[C@@H](N)C(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is AJXJIOPLAGCVBR-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)10(13)11(17)14-6-4-5-8(14)7-9(15)16/h8,10H,4-7,13H2,1-3H3,(H,15,16)/t8?,10-/m0/s1.
What are the key properties of 2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R)-2-amino-3,3-dimethylbutanoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 103929702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).