(3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid

C10H20N2O2 — CID 166745692

IUPAC(3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid
SMILESCC[C@H]1CN(C(=O)O)CC[C@H]1C(C)N
InChIInChI=1S/C10H20N2O2/c1-3-8-6-12(10(13)14)5-4-9(8)7(2)11/h7-9H,3-6,11H2,1-2H3,(H,13,14)/t7?,8-,9-/m0/s1
InChIKeyOPXDIDMKVZRDAJ-NPPUSCPJSA-N
MW200.28 g/mol
LogP1.36
Rot. Bonds2

About (3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid

(3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid (PubChem CID 166745692) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid
PubChem CID166745692
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid
SMILESCC[C@H]1CN(C(=O)O)CC[C@H]1C(C)N
InChIInChI=1S/C10H20N2O2/c1-3-8-6-12(10(13)14)5-4-9(8)7(2)11/h7-9H,3-6,11H2,1-2H3,(H,13,14)/t7?,8-,9-/m0/s1
InChIKeyOPXDIDMKVZRDAJ-NPPUSCPJSA-N
XLogP1.36
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid
CID 166745718
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
2-[(3R,4R)-1-chloro-3-ethylpiperidin-4-yl]propanoic acid
CID 22803822
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
(3S)-3-(butan-2-ylamino)pyrrolidine-1-carboxylic acid
CID 68918962
1-[(3S,4R)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581968
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581965
3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 142793720
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972
methyl (3S,4S)-3-ethyl-4-(1-methoxy-1,3-dioxobutan-2-yl)piperidine-1-carboxylate
CID 101264638

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid?
The IUPAC name of (3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid (CID 166745692) is (3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid is CC[C@H]1CN(C(=O)O)CC[C@H]1C(C)N.
What is the InChIKey of (3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid?
The InChIKey is OPXDIDMKVZRDAJ-NPPUSCPJSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-8-6-12(10(13)14)5-4-9(8)7(2)11/h7-9H,3-6,11H2,1-2H3,(H,13,14)/t7?,8-,9-/m0/s1.
What are the key properties of (3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid?
(3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 166745692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).