methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride

C10H19ClN2O3 — CID 119781300

IUPACmethyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
SMILESCOC(=O)[C@@H](C)NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-7(10(14)15-2)12-9(13)6-8-4-3-5-11-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13);1H/t7-,8?;/m1./s1
InChIKeyXNMMLJMBDZMZBE-PGMKYVDRSA-N
MW250.73 g/mol
LogP0.23
Rot. Bonds4

About methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride

methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride (PubChem CID 119781300) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
PubChem CID119781300
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Namemethyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
SMILESCOC(=O)[C@@H](C)NC(=O)CC1CCCN1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-7(10(14)15-2)12-9(13)6-8-4-3-5-11-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13);1H/t7-,8?;/m1./s1
InChIKeyXNMMLJMBDZMZBE-PGMKYVDRSA-N
XLogP0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride
CID 119748439
N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
CID 112701709
methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
CID 119707961
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119818568
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119786793
N-(3-methylpentan-2-yl)-2-piperidin-2-ylacetamide
CID 61463782
N-(dicyclopropylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366652
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752490

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride (CID 119781300) is methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride is COC(=O)[C@@H](C)NC(=O)CC1CCCN1.Cl.
What is the InChIKey of methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride?
The InChIKey is XNMMLJMBDZMZBE-PGMKYVDRSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-7(10(14)15-2)12-9(13)6-8-4-3-5-11-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13);1H/t7-,8?;/m1./s1.
What are the key properties of methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride?
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride is sourced from PubChem (CID 119781300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).