methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate

C11H20N2O3 — CID 119709028

IUPACmethyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
SMILESCCC(NC(=O)[C@@H]1CCCCN1)C(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-8(11(15)16-2)13-10(14)9-6-4-5-7-12-9/h8-9,12H,3-7H2,1-2H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyLLLIATYIGZJLGC-GKAPJAKFSA-N
MW228.29 g/mol
LogP0.20
Rot. Bonds4

About methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate

methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate (PubChem CID 119709028) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
PubChem CID119709028
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
SMILESCCC(NC(=O)[C@@H]1CCCCN1)C(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-8(11(15)16-2)13-10(14)9-6-4-5-7-12-9/h8-9,12H,3-7H2,1-2H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyLLLIATYIGZJLGC-GKAPJAKFSA-N
XLogP0.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 68798809
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581
methyl (2S)-2-(azepane-2-carbonylamino)-4-methylpentanoate
CID 103954871
methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 104913149
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
N-(3-methylpentan-2-yl)azepane-2-carboxamide
CID 64564622
methyl 2-(morpholine-3-carbonylamino)butanoate
CID 119709002
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
ethyl 2-(azepane-2-carbonylamino)propanoate
CID 64564630

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
The IUPAC name of methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate (CID 119709028) is methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
The canonical SMILES for methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate is CCC(NC(=O)[C@@H]1CCCCN1)C(=O)OC.
What is the InChIKey of methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
The InChIKey is LLLIATYIGZJLGC-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-8(11(15)16-2)13-10(14)9-6-4-5-7-12-9/h8-9,12H,3-7H2,1-2H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate?
methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate has a molecular weight of 228.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate is sourced from PubChem (CID 119709028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).