(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid

C7H14N2O2 — CID 146402119

IUPAC(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
SMILESC[C@H]1CN(C(=O)O)CC[C@@H]1N
InChIInChI=1S/C7H14N2O2/c1-5-4-9(7(10)11)3-2-6(5)8/h5-6H,2-4,8H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyDGICZFUJOGMKRL-WDSKDSINSA-N
MW158.20 g/mol
LogP0.33
Rot. Bonds

About (3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid

(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid (PubChem CID 146402119) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
PubChem CID146402119
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
SMILESC[C@H]1CN(C(=O)O)CC[C@@H]1N
InChIInChI=1S/C7H14N2O2/c1-5-4-9(7(10)11)3-2-6(5)8/h5-6H,2-4,8H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyDGICZFUJOGMKRL-WDSKDSINSA-N
XLogP0.33
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
4-amino-3-ethylpiperidine-1-carboxylic acid
CID 90001260
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
(3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid
CID 166745718
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
(4-amino-3-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79879328
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate
CID 79867797
(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 79867793
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid?
The IUPAC name of (3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid (CID 146402119) is (3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid is C[C@H]1CN(C(=O)O)CC[C@@H]1N.
What is the InChIKey of (3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid?
The InChIKey is DGICZFUJOGMKRL-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5-4-9(7(10)11)3-2-6(5)8/h5-6H,2-4,8H2,1H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid?
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 146402119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).