ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate

C14H24N2O4 — CID 10613062

IUPACethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CC(C)C
InChIInChI=1S/C14H24N2O4/c1-4-20-13(18)9-15-14(19)11-6-5-7-16(11)12(17)8-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)/t11-/m0/s1
InChIKeyYQPCGNJMCOYVNN-NSHDSACASA-N
MW284.36 g/mol
LogP0.70
Rot. Bonds6

About ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate

ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate (PubChem CID 10613062) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate
PubChem CID10613062
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CC(C)C
InChIInChI=1S/C14H24N2O4/c1-4-20-13(18)9-15-14(19)11-6-5-7-16(11)12(17)8-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)/t11-/m0/s1
InChIKeyYQPCGNJMCOYVNN-NSHDSACASA-N
XLogP0.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate (CID 10613062) is ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CC(C)C.
What is the InChIKey of ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is YQPCGNJMCOYVNN-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-20-13(18)9-15-14(19)11-6-5-7-16(11)12(17)8-10(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)/t11-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate?
ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 284.36 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 10613062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).