(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid

C16H23N3O2 — CID 97119136

IUPAC(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
SMILESNc1ncccc1CN1CCC[C@](CC2CC2)(C(=O)O)C1
InChIInChI=1S/C16H23N3O2/c17-14-13(3-1-7-18-14)10-19-8-2-6-16(11-19,15(20)21)9-12-4-5-12/h1,3,7,12H,2,4-6,8-11H2,(H2,17,18)(H,20,21)/t16-/m1/s1
InChIKeySLEHEXMVKHYNND-MRXNPFEDSA-N
MW289.38 g/mol
LogP2.13
Rot. Bonds5

About (3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid

(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid (PubChem CID 97119136) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
PubChem CID97119136
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
SMILESNc1ncccc1CN1CCC[C@](CC2CC2)(C(=O)O)C1
InChIInChI=1S/C16H23N3O2/c17-14-13(3-1-7-18-14)10-19-8-2-6-16(11-19,15(20)21)9-12-4-5-12/h1,3,7,12H,2,4-6,8-11H2,(H2,17,18)(H,20,21)/t16-/m1/s1
InChIKeySLEHEXMVKHYNND-MRXNPFEDSA-N
XLogP2.13
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97122214
(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 97150633
(5S)-2-[(2-amino-3-pyridinyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97141834
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 72875321
2-[1-[(2-amino-3-pyridinyl)methyl]-3-hydroxypiperidin-3-yl]-N,N-dimethylacetamide
CID 167822220
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 72884410
3-(cyclopropylmethyl)-1-pyridin-4-ylpiperidine-3-carboxylic acid;hydrochloride
CID 154899041
(3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97155939
(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97133834
1-[4-[(2-amino-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 62466270

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid (CID 97119136) is (3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid is Nc1ncccc1CN1CCC[C@](CC2CC2)(C(=O)O)C1.
What is the InChIKey of (3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid?
The InChIKey is SLEHEXMVKHYNND-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-14-13(3-1-7-18-14)10-19-8-2-6-16(11-19,15(20)21)9-12-4-5-12/h1,3,7,12H,2,4-6,8-11H2,(H2,17,18)(H,20,21)/t16-/m1/s1.
What are the key properties of (3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid?
(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97119136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).