(3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid

C15H25N3O4 — CID 68664267

IUPAC(3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1C[C@@H](NCC2CC2)C[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H25N3O4/c19-14(17-3-5-22-6-4-17)12-7-13(16-8-11-1-2-11)10-18(9-12)15(20)21/h11-13,16H,1-10H2,(H,20,21)/t12-,13+/m1/s1
InChIKeyGQXGLZGNZVGVJR-OLZOCXBDSA-N
MW311.38 g/mol
LogP0.21
Rot. Bonds4

About (3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid

(3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid (PubChem CID 68664267) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid
PubChem CID68664267
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1C[C@@H](NCC2CC2)C[C@@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H25N3O4/c19-14(17-3-5-22-6-4-17)12-7-13(16-8-11-1-2-11)10-18(9-12)15(20)21/h11-13,16H,1-10H2,(H,20,21)/t12-,13+/m1/s1
InChIKeyGQXGLZGNZVGVJR-OLZOCXBDSA-N
XLogP0.21
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid?
The IUPAC name of (3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid (CID 68664267) is (3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid.
What is the SMILES notation for (3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid?
The canonical SMILES for (3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid is O=C(O)N1C[C@@H](NCC2CC2)C[C@@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of (3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid?
The InChIKey is GQXGLZGNZVGVJR-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H25N3O4/c19-14(17-3-5-22-6-4-17)12-7-13(16-8-11-1-2-11)10-18(9-12)15(20)21/h11-13,16H,1-10H2,(H,20,21)/t12-,13+/m1/s1.
What are the key properties of (3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid?
(3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-(cyclopropylmethylamino)-5-(morpholine-4-carbonyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68664267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).