(3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid

C10H18N2O4 — CID 68662545

IUPAC(3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid
SMILESCC(C)N[C@@H]1C[C@@H](C(=O)O)CN(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-6(2)11-8-3-7(9(13)14)4-12(5-8)10(15)16/h6-8,11H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t7-,8-/m1/s1
InChIKeyCESIDIFVXPYJHQ-HTQZYQBOSA-N
MW230.26 g/mol
LogP0.44
Rot. Bonds3

About (3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid

(3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid (PubChem CID 68662545) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name(3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid
PubChem CID68662545
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid
SMILESCC(C)N[C@@H]1C[C@@H](C(=O)O)CN(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-6(2)11-8-3-7(9(13)14)4-12(5-8)10(15)16/h6-8,11H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t7-,8-/m1/s1
InChIKeyCESIDIFVXPYJHQ-HTQZYQBOSA-N
XLogP0.44
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid?
The IUPAC name of (3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid (CID 68662545) is (3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid.
What is the SMILES notation for (3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid?
The canonical SMILES for (3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid is CC(C)N[C@@H]1C[C@@H](C(=O)O)CN(C(=O)O)C1.
What is the InChIKey of (3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid?
The InChIKey is CESIDIFVXPYJHQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(2)11-8-3-7(9(13)14)4-12(5-8)10(15)16/h6-8,11H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t7-,8-/m1/s1.
What are the key properties of (3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid?
(3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(propan-2-ylamino)piperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 68662545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).