3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid

C9H16N2O4 — CID 142793720

IUPAC3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)O)CC1N
InChIInChI=1S/C9H16N2O4/c1-2-15-8(12)6-3-4-11(9(13)14)5-7(6)10/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKeyQONQAKIAQIXICJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.12
Rot. Bonds2

About 3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid

3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid (PubChem CID 142793720) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid
PubChem CID142793720
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid
SMILESCCOC(=O)C1CCN(C(=O)O)CC1N
InChIInChI=1S/C9H16N2O4/c1-2-15-8(12)6-3-4-11(9(13)14)5-7(6)10/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKeyQONQAKIAQIXICJ-UHFFFAOYSA-N
XLogP-0.12
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326496
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl (3S,4S)-3-amino-1-benzylpiperidine-4-carboxylate;dihydrochloride
CID 155921053
ethyl 4-ethyl-1-oxidopyrrolidine-3-carboxylate
CID 88508126
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
(3R,4S)-3-ethoxycarbonyl-4-(1-phenylethylamino)piperidine-1-carboxylic acid
CID 170313768
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
(3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid
CID 166745692
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
(E)-5-[(3S,4S)-4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pent-2-enoic acid
CID 11845767

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid?
The IUPAC name of 3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid (CID 142793720) is 3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid is CCOC(=O)C1CCN(C(=O)O)CC1N.
What is the InChIKey of 3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid?
The InChIKey is QONQAKIAQIXICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-2-15-8(12)6-3-4-11(9(13)14)5-7(6)10/h6-7H,2-5,10H2,1H3,(H,13,14).
What are the key properties of 3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid?
3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid is sourced from PubChem (CID 142793720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).