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

C8H16N2O2 — CID 70462326

IUPAC(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
SMILESC[C@H]1CN(C(=O)O)CC[C@H]1CN
InChIInChI=1S/C8H16N2O2/c1-6-5-10(8(11)12)3-2-7(6)4-9/h6-7H,2-5,9H2,1H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyRUMRZGBBUHODOR-BQBZGAKWSA-N
MW172.23 g/mol
LogP0.58
Rot. Bonds1

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

(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid (PubChem CID 70462326) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
PubChem CID70462326
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
SMILESC[C@H]1CN(C(=O)O)CC[C@H]1CN
InChIInChI=1S/C8H16N2O2/c1-6-5-10(8(11)12)3-2-7(6)4-9/h6-7H,2-5,9H2,1H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyRUMRZGBBUHODOR-BQBZGAKWSA-N
XLogP0.58
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-one
CID 165476111
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
(3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid
CID 166745718
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-3,3-dimethylbutan-1-one
CID 114960628

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid?
The IUPAC name of (3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid (CID 70462326) is (3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid is C[C@H]1CN(C(=O)O)CC[C@H]1CN.
What is the InChIKey of (3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid?
The InChIKey is RUMRZGBBUHODOR-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6-5-10(8(11)12)3-2-7(6)4-9/h6-7H,2-5,9H2,1H3,(H,11,12)/t6-,7-/m0/s1.
What are the key properties of (3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid?
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 70462326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).