methyl 4-(2-aminoacetyl)piperidine-1-carboxylate

C9H16N2O3 — CID 115006817

IUPACmethyl 4-(2-aminoacetyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)CN)CC1
InChIInChI=1S/C9H16N2O3/c1-14-9(13)11-4-2-7(3-5-11)8(12)6-10/h7H,2-6,10H2,1H3
InChIKeyBSAQSXCCOQNVRD-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.01
Rot. Bonds2

About methyl 4-(2-aminoacetyl)piperidine-1-carboxylate

methyl 4-(2-aminoacetyl)piperidine-1-carboxylate (PubChem CID 115006817) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 4-(2-aminoacetyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminoacetyl)piperidine-1-carboxylate
PubChem CID115006817
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 4-(2-aminoacetyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)CN)CC1
InChIInChI=1S/C9H16N2O3/c1-14-9(13)11-4-2-7(3-5-11)8(12)6-10/h7H,2-6,10H2,1H3
InChIKeyBSAQSXCCOQNVRD-UHFFFAOYSA-N
XLogP-0.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-carbamoylpyrrolidine-1-carboxylate
CID 103623470
1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone
CID 115006793
methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881160
methyl 4-bromopiperidine-1-carboxylate
CID 174906499
1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742588
methyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
CID 110754077
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
CID 123981313
CID 123981313
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
methyl 4-methylazocane-1-carboxylate
CID 91583832
benzyl 4-(2-aminoacetyl)azepane-1-carboxylate
CID 115006849
methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoacetyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(2-aminoacetyl)piperidine-1-carboxylate (CID 115006817) is methyl 4-(2-aminoacetyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-aminoacetyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(2-aminoacetyl)piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)CN)CC1.
What is the InChIKey of methyl 4-(2-aminoacetyl)piperidine-1-carboxylate?
The InChIKey is BSAQSXCCOQNVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-9(13)11-4-2-7(3-5-11)8(12)6-10/h7H,2-6,10H2,1H3.
What are the key properties of methyl 4-(2-aminoacetyl)piperidine-1-carboxylate?
methyl 4-(2-aminoacetyl)piperidine-1-carboxylate has a molecular weight of 200.24 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoacetyl)piperidine-1-carboxylate is sourced from PubChem (CID 115006817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).