methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate

C10H18N2O3 — CID 124508484

IUPACmethyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N)C1
InChIInChI=1S/C10H18N2O3/c1-7(11)9(13)12-5-3-4-8(6-12)10(14)15-2/h7-8H,3-6,11H2,1-2H3/t7-,8+/m1/s1
InChIKeyAHNPIUWSYIZXPP-SFYZADRCSA-N
MW214.26 g/mol
LogP-0.25
Rot. Bonds2

About methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate

methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate (PubChem CID 124508484) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
PubChem CID124508484
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N)C1
InChIInChI=1S/C10H18N2O3/c1-7(11)9(13)12-5-3-4-8(6-12)10(14)15-2/h7-8H,3-6,11H2,1-2H3/t7-,8+/m1/s1
InChIKeyAHNPIUWSYIZXPP-SFYZADRCSA-N
XLogP-0.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate
CID 165486896
methyl 1-(2-bromo-3-methylbutanoyl)piperidine-3-carboxylate
CID 115534218
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate
CID 113329988
methyl (3S)-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-3-carboxylate
CID 103310501
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
CID 103430283
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate
CID 78919646

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate (CID 124508484) is methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N)C1.
What is the InChIKey of methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate?
The InChIKey is AHNPIUWSYIZXPP-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(11)9(13)12-5-3-4-8(6-12)10(14)15-2/h7-8H,3-6,11H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate?
methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate has a molecular weight of 214.26 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 124508484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).