3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid

C11H18N2O4 — CID 107323373

IUPAC3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC(N)(C(=O)O)C2)CCCO1
InChIInChI=1S/C11H18N2O4/c1-10(3-2-6-17-10)8(14)13-5-4-11(12,7-13)9(15)16/h2-7,12H2,1H3,(H,15,16)
InChIKeyILYYSOSABNUYAX-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.43
Rot. Bonds2

About 3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323373) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107323373
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)N2CCC(N)(C(=O)O)C2)CCCO1
InChIInChI=1S/C11H18N2O4/c1-10(3-2-6-17-10)8(14)13-5-4-11(12,7-13)9(15)16/h2-7,12H2,1H3,(H,15,16)
InChIKeyILYYSOSABNUYAX-UHFFFAOYSA-N
XLogP-0.43
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-methyloxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 81120832
1-acetyl-4-aminopiperidine-4-carboxylic acid
CID 127018755
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methyloxolan-2-yl)methanone
CID 114781946
1-(3-aminooxolane-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 64893003
3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
CID 107323128
(2-methyloxolan-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756349
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methyloxolan-2-yl)methanone
CID 82701323
3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 107323806
3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 114032004
(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone
CID 126432712
2-(2-methyloxolane-2-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557235
3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323265

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 107323373) is 3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)N2CCC(N)(C(=O)O)C2)CCCO1.
What is the InChIKey of 3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ILYYSOSABNUYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-10(3-2-6-17-10)8(14)13-5-4-11(12,7-13)9(15)16/h2-7,12H2,1H3,(H,15,16).
What are the key properties of 3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methyloxolane-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).