methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate

C9H16N2O3 — CID 61164930

IUPACmethyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H16N2O3/c1-11(6-8(12)14-2)9(13)7-4-3-5-10-7/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyHJGAOKCPZGINSZ-ZETCQYMHSA-N
MW200.24 g/mol
LogP-0.63
Rot. Bonds3

About methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate

methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate (PubChem CID 61164930) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
PubChem CID61164930
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H16N2O3/c1-11(6-8(12)14-2)9(13)7-4-3-5-10-7/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyHJGAOKCPZGINSZ-ZETCQYMHSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

L-Prolylglycine
CID 6426709
L-prolinylglycine zwitterion
CID 7408076
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
N-(Hydroxy(pyrrolidin-2-yl)methylidene)alanine
CID 418041
L-Ala-L-Pro
CID 11892823
(2S)-aminobutyryl-L-prolinamide
CID 11579307
L-norvalyl-L-prolinamide
CID 11687141
L-Prolyl-L-alanine
CID 6347578
(2R)-1-acetyl-N-methylpyrrolidine-2-carboxamide
CID 45116029
Ala-Pro-Gly
CID 11902903

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate (CID 61164930) is methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate is COC(=O)CN(C)C(=O)[C@@H]1CCCN1.
What is the InChIKey of methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is HJGAOKCPZGINSZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-11(6-8(12)14-2)9(13)7-4-3-5-10-7/h7,10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate?
methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 200.24 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 61164930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).