4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid

C12H20N2O4 — CID 66247506

IUPAC4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)[C@@H]1CCCN1)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-2-14(11(15)9-4-3-5-13-9)10-7-18-6-8(10)12(16)17/h8-10,13H,2-7H2,1H3,(H,16,17)/t8?,9-,10?/m0/s1
InChIKeyFKRVNLAWZNXUIS-KYHHOPLUSA-N
MW256.30 g/mol
LogP-0.31
Rot. Bonds4

About 4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 66247506) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID66247506
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)[C@@H]1CCCN1)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-2-14(11(15)9-4-3-5-13-9)10-7-18-6-8(10)12(16)17/h8-10,13H,2-7H2,1H3,(H,16,17)/t8?,9-,10?/m0/s1
InChIKeyFKRVNLAWZNXUIS-KYHHOPLUSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-(3-methylpyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 102779661
4-[ethyl-(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66247521
4-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 107175663
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(1-aminocyclohexanecarbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66247719
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66245727
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid (CID 66247506) is 4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)[C@@H]1CCCN1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is FKRVNLAWZNXUIS-KYHHOPLUSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-14(11(15)9-4-3-5-13-9)10-7-18-6-8(10)12(16)17/h8-10,13H,2-7H2,1H3,(H,16,17)/t8?,9-,10?/m0/s1.
What are the key properties of 4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).