(3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid

C11H21N3O2 — CID 153347426

IUPAC(3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid
SMILESN[C@]1(C(=O)O)CCCN(C[C@@H]2CCCN2)C1
InChIInChI=1S/C11H21N3O2/c12-11(10(15)16)4-2-6-14(8-11)7-9-3-1-5-13-9/h9,13H,1-8,12H2,(H,15,16)/t9-,11+/m0/s1
InChIKeyXARWAYGLZFGVES-GXSJLCMTSA-N
MW227.31 g/mol
LogP-0.38
Rot. Bonds3

About (3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid

(3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 153347426) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid
PubChem CID153347426
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid
SMILESN[C@]1(C(=O)O)CCCN(C[C@@H]2CCCN2)C1
InChIInChI=1S/C11H21N3O2/c12-11(10(15)16)4-2-6-14(8-11)7-9-3-1-5-13-9/h9,13H,1-8,12H2,(H,15,16)/t9-,11+/m0/s1
InChIKeyXARWAYGLZFGVES-GXSJLCMTSA-N
XLogP-0.38
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-1-(pyrrolidin-2-ylmethyl)piperidine
CID 115023488
[3-fluoro-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 130719897
3-amino-1-prop-2-enylpiperidine-3-carboxylic acid
CID 117011810
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
(Z)-but-2-enedioic acid;2-(pyrrolidin-1-ylmethyl)piperidine
CID 70383224
2-(pyrrolidin-2-ylmethyl)-2-azaspiro[3.5]nonane
CID 79677168
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]azepane
CID 107393237
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
CID 117011822
3-amino-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107324451
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid (CID 153347426) is (3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid is N[C@]1(C(=O)O)CCCN(C[C@@H]2CCCN2)C1.
What is the InChIKey of (3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is XARWAYGLZFGVES-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-11(10(15)16)4-2-6-14(8-11)7-9-3-1-5-13-9/h9,13H,1-8,12H2,(H,15,16)/t9-,11+/m0/s1.
What are the key properties of (3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid?
(3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 227.31 g/mol, XLogP of -0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 153347426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).