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

C8H15ClN2O3 — CID 13273161

IUPACmethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride
SMILESCOC(=O)CNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C8H14N2O3.ClH/c1-13-7(11)5-10-8(12)6-3-2-4-9-6;/h6,9H,2-5H2,1H3,(H,10,12);1H/t6-;/m0./s1
InChIKeyASSBOQXVKNGFHE-RGMNGODLSA-N
MW222.67 g/mol
LogP-0.55
Rot. Bonds3

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

methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride (PubChem CID 13273161) has the molecular formula C8H15ClN2O3 and a molecular weight of 222.67 g/mol. Its IUPAC name is methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride
PubChem CID13273161
Molecular FormulaC8H15ClN2O3
Molecular Weight222.67 g/mol
Exact Mass222.08
IUPAC Namemethyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride
SMILESCOC(=O)CNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C8H14N2O3.ClH/c1-13-7(11)5-10-8(12)6-3-2-4-9-6;/h6,9H,2-5H2,1H3,(H,10,12);1H/t6-;/m0./s1
InChIKeyASSBOQXVKNGFHE-RGMNGODLSA-N
XLogP-0.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-Prolylglycine
CID 6426709
L-Prolyl-L-alanine
CID 6347578
N-(Hydroxy(pyrrolidin-2-yl)methylidene)alanine
CID 418041
L-prolinylglycine zwitterion
CID 7408076
Ala-Pro-Gly
CID 11902903
H-Ala-Gly-Pro-Ala-OMe
CID 155536309
H-Ala-Gly-Pro-Ala-Gly-OMe
CID 155536953
1-Boc-2-(2-methoxy-2-oxoethylcarbamoyl)pyrrolidine
CID 292449
(2S,4S)-methyl 1-acetyl-4-aminopyrrolidine-2-carboxylate
CID 25146958
H-Gly-pro-gly-OH
CID 3013626
2-[(Pyrrolidinium-2-ylcarbonyl)amino]propanoate
CID 44369241
Alanylprolylglycine zwitterion
CID 11902902

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride (CID 13273161) is methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride is COC(=O)CNC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride?
The InChIKey is ASSBOQXVKNGFHE-RGMNGODLSA-N. The full InChI is InChI=1S/C8H14N2O3.ClH/c1-13-7(11)5-10-8(12)6-3-2-4-9-6;/h6,9H,2-5H2,1H3,(H,10,12);1H/t6-;/m0./s1.
What are the key properties of methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride?
methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride has a molecular weight of 222.67 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetate;hydrochloride is sourced from PubChem (CID 13273161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).