3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C11H20N2O4 — CID 107324268

IUPAC3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)CN1CCC(N)(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-8(14)6-13-5-4-11(12,7-13)9(15)16/h4-7,12H2,1-3H3,(H,15,16)
InChIKeyBKFIYKLANNWVSH-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.18
Rot. Bonds3

About 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324268) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID107324268
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)CN1CCC(N)(C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-8(14)6-13-5-4-11(12,7-13)9(15)16/h4-7,12H2,1-3H3,(H,15,16)
InChIKeyBKFIYKLANNWVSH-UHFFFAOYSA-N
XLogP-0.18
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid
CID 107324778
3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
3-amino-1-(2,2-diethoxyethyl)pyrrolidine-3-carboxylic acid
CID 107324566
ethyl 3-(2-tert-butylsilyloxypropan-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 131728356
tert-butyl 2-[4-(2-aminoethyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 24944493
tert-butyl 2-(4-carbamoylpiperazin-1-yl)acetate
CID 11195897
tert-butyl 2-[4-(2-aminoethyl)piperazin-1-yl]acetate
CID 113366617
3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324601
3-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
CID 107324385
2-[4-(carboxymethyl)-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 69321480
3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324715

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 107324268) is 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid is CC(C)(C)OC(=O)CN1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BKFIYKLANNWVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-10(2,3)17-8(14)6-13-5-4-11(12,7-13)9(15)16/h4-7,12H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).