3-(methoxycarbonylamino)piperidine-1-carboxylic acid

C8H14N2O4 — CID 174735066

IUPAC3-(methoxycarbonylamino)piperidine-1-carboxylic acid
SMILESCOC(=O)NC1CCCN(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-14-7(11)9-6-3-2-4-10(5-6)8(12)13/h6H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyPZXHATCUXFMBMN-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.48
Rot. Bonds1

About 3-(methoxycarbonylamino)piperidine-1-carboxylic acid

3-(methoxycarbonylamino)piperidine-1-carboxylic acid (PubChem CID 174735066) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(methoxycarbonylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(methoxycarbonylamino)piperidine-1-carboxylic acid
PubChem CID174735066
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name3-(methoxycarbonylamino)piperidine-1-carboxylic acid
SMILESCOC(=O)NC1CCCN(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-14-7(11)9-6-3-2-4-10(5-6)8(12)13/h6H,2-5H2,1H3,(H,9,11)(H,12,13)
InChIKeyPZXHATCUXFMBMN-UHFFFAOYSA-N
XLogP0.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid
CID 67330926
3-hydrazinylpiperidine-1-carboxylic acid
CID 126736285
methyl N-(1-formylpiperidin-3-yl)carbamate
CID 145026551
(3R)-3-(cyclopentylamino)piperidine-1-carboxylic acid
CID 69317437
(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid
CID 67020499
3-[(2-ethyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
CID 138621802
(3R)-3-(cyclohexylamino)piperidine-1-carboxylic acid
CID 68661844
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
methyl N-cyclohexadecylcarbamate
CID 131977131
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391

Frequently Asked Questions

What is the IUPAC name of 3-(methoxycarbonylamino)piperidine-1-carboxylic acid?
The IUPAC name of 3-(methoxycarbonylamino)piperidine-1-carboxylic acid (CID 174735066) is 3-(methoxycarbonylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(methoxycarbonylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(methoxycarbonylamino)piperidine-1-carboxylic acid is COC(=O)NC1CCCN(C(=O)O)C1.
What is the InChIKey of 3-(methoxycarbonylamino)piperidine-1-carboxylic acid?
The InChIKey is PZXHATCUXFMBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-14-7(11)9-6-3-2-4-10(5-6)8(12)13/h6H,2-5H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 3-(methoxycarbonylamino)piperidine-1-carboxylic acid?
3-(methoxycarbonylamino)piperidine-1-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxycarbonylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 174735066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).