2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid

C14H20N2O2 — CID 66564975

IUPAC2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
SMILESO=C(O)CN[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c17-14(18)9-15-13-7-4-8-16(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,17,18)/t13-/m0/s1
InChIKeyNMTXULXNXYFWHA-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds5

About 2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid

2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid (PubChem CID 66564975) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
PubChem CID66564975
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
SMILESO=C(O)CN[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c17-14(18)9-15-13-7-4-8-16(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,17,18)/t13-/m0/s1
InChIKeyNMTXULXNXYFWHA-ZDUSSCGKSA-N
XLogP1.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine
CID 66044031
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(Z)-4-[(1-benzylpiperidin-3-yl)amino]-2-methylbut-2-enoic acid
CID 103254736
2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid
CID 64590673
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol
CID 65105573
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid (CID 66564975) is 2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid is O=C(O)CN[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid?
The InChIKey is NMTXULXNXYFWHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)9-15-13-7-4-8-16(11-13)10-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid?
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid has a molecular weight of 248.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid is sourced from PubChem (CID 66564975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).