methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride

C11H21ClN2O3 — CID 119274282

IUPACmethyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
SMILESCOC(=O)CC(C)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-8(7-10(14)16-2)13-11(15)9-5-3-4-6-12-9;/h8-9,12H,3-7H2,1-2H3,(H,13,15);1H
InChIKeyYOFDHDQCMJMDQR-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.62
Rot. Bonds4

About methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride

methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride (PubChem CID 119274282) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
PubChem CID119274282
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Namemethyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
SMILESCOC(=O)CC(C)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-8(7-10(14)16-2)13-11(15)9-5-3-4-6-12-9;/h8-9,12H,3-7H2,1-2H3,(H,13,15);1H
InChIKeyYOFDHDQCMJMDQR-UHFFFAOYSA-N
XLogP0.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
N-(5,5-dimethylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119330827
(2R)-N-(4-methylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119789194
methyl (3R,4R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
CID 71251216
(2R)-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 103812007
N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride
CID 119860546
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
benzyl 3-(pyrrolidine-2-carbonylamino)butanoate
CID 18339709
methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 71251227

Frequently Asked Questions

What is the IUPAC name of methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride?
The IUPAC name of methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride (CID 119274282) is methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride.
What is the SMILES notation for methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride?
The canonical SMILES for methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride is COC(=O)CC(C)NC(=O)C1CCCCN1.Cl.
What is the InChIKey of methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride?
The InChIKey is YOFDHDQCMJMDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-8(7-10(14)16-2)13-11(15)9-5-3-4-6-12-9;/h8-9,12H,3-7H2,1-2H3,(H,13,15);1H.
What are the key properties of methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride?
methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride is sourced from PubChem (CID 119274282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).