methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride

C9H17ClN2O3 — CID 119291009

IUPACmethyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
SMILESCOC(=O)C(C)NC(=O)C1CCCN1.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-6(9(13)14-2)11-8(12)7-4-3-5-10-7;/h6-7,10H,3-5H2,1-2H3,(H,11,12);1H
InChIKeyWFWDRNMZNBLXLO-UHFFFAOYSA-N
MW236.70 g/mol
LogP-0.16
Rot. Bonds3

About methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride

methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride (PubChem CID 119291009) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
PubChem CID119291009
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Namemethyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
SMILESCOC(=O)C(C)NC(=O)C1CCCN1.Cl
InChIInChI=1S/C9H16N2O3.ClH/c1-6(9(13)14-2)11-8(12)7-4-3-5-10-7;/h6-7,10H,3-5H2,1-2H3,(H,11,12);1H
InChIKeyWFWDRNMZNBLXLO-UHFFFAOYSA-N
XLogP-0.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
ethyl 2-(azepane-2-carbonylamino)propanoate
CID 64564630
(2R)-N-(1,1-dimethoxypropan-2-yl)pyrrolidine-2-carboxamide
CID 104901176
(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 61467430
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 113235709
methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 68798809
methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 104913149
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride?
The IUPAC name of methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride (CID 119291009) is methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride.
What is the SMILES notation for methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride?
The canonical SMILES for methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride is COC(=O)C(C)NC(=O)C1CCCN1.Cl.
What is the InChIKey of methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride?
The InChIKey is WFWDRNMZNBLXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c1-6(9(13)14-2)11-8(12)7-4-3-5-10-7;/h6-7,10H,3-5H2,1-2H3,(H,11,12);1H.
What are the key properties of methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride?
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride is sourced from PubChem (CID 119291009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).