[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid

C10H19N3O3 — CID 118874609

IUPAC[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CC(=O)NC[C@H]1N
InChIInChI=1S/C10H19N3O3/c1-10(2,3)13(9(15)16)7-4-8(14)12-5-6(7)11/h6-7H,4-5,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7-/m1/s1
InChIKeyGTOYZFIJRANQQG-RNFRBKRXSA-N
MW229.28 g/mol
LogP-0.02
Rot. Bonds1

About [(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid

[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid (PubChem CID 118874609) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is [(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid
PubChem CID118874609
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CC(=O)NC[C@H]1N
InChIInChI=1S/C10H19N3O3/c1-10(2,3)13(9(15)16)7-4-8(14)12-5-6(7)11/h6-7H,4-5,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7-/m1/s1
InChIKeyGTOYZFIJRANQQG-RNFRBKRXSA-N
XLogP-0.02
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid?
The IUPAC name of [(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid (CID 118874609) is [(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid.
What is the SMILES notation for [(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid?
The canonical SMILES for [(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CC(=O)NC[C@H]1N.
What is the InChIKey of [(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid?
The InChIKey is GTOYZFIJRANQQG-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,3)13(9(15)16)7-4-8(14)12-5-6(7)11/h6-7H,4-5,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7-/m1/s1.
What are the key properties of [(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid?
[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid has a molecular weight of 229.28 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid is sourced from PubChem (CID 118874609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).