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

C9H18N2O2 — CID 166745718

IUPAC(3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid
SMILESCC(N)[C@@H]1CCN(C(=O)O)C[C@@H]1C
InChIInChI=1S/C9H18N2O2/c1-6-5-11(9(12)13)4-3-8(6)7(2)10/h6-8H,3-5,10H2,1-2H3,(H,12,13)/t6-,7?,8+/m0/s1
InChIKeyBCLGUBFAKBMSFF-YPVSKDHRSA-N
MW186.25 g/mol
LogP0.97
Rot. Bonds1

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

(3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid (PubChem CID 166745718) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid
PubChem CID166745718
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid
SMILESCC(N)[C@@H]1CCN(C(=O)O)C[C@@H]1C
InChIInChI=1S/C9H18N2O2/c1-6-5-11(9(12)13)4-3-8(6)7(2)10/h6-8H,3-5,10H2,1-2H3,(H,12,13)/t6-,7?,8+/m0/s1
InChIKeyBCLGUBFAKBMSFF-YPVSKDHRSA-N
XLogP0.97
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(1-aminoethyl)-3-ethylpiperidine-1-carboxylic acid
CID 166745692
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
(3R,4R)-4-[(1S)-1-aminoethyl]-2-tert-butyl-3-methylpiperidine-1-carboxylic acid
CID 166745497
3-carbonochloridoyl-4-methylpiperidine-1-carboxylic acid
CID 91451073
3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 171505974

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid?
The IUPAC name of (3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid (CID 166745718) is (3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid is CC(N)[C@@H]1CCN(C(=O)O)C[C@@H]1C.
What is the InChIKey of (3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid?
The InChIKey is BCLGUBFAKBMSFF-YPVSKDHRSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6-5-11(9(12)13)4-3-8(6)7(2)10/h6-8H,3-5,10H2,1-2H3,(H,12,13)/t6-,7?,8+/m0/s1.
What are the key properties of (3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid?
(3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.97, 1 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-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 166745718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).