[(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid

C10H19N3O3 — CID 118874617

IUPAC[(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CNC(=O)C[C@@H]1N
InChIInChI=1S/C10H19N3O3/c1-10(2,3)13(9(15)16)7-5-12-8(14)4-6(7)11/h6-7H,4-5,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+/m0/s1
InChIKeyASOFILGQKVZWFX-NKWVEPMBSA-N
MW229.28 g/mol
LogP-0.02
Rot. Bonds1

About [(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid

[(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid (PubChem CID 118874617) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is [(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid
PubChem CID118874617
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name[(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CNC(=O)C[C@@H]1N
InChIInChI=1S/C10H19N3O3/c1-10(2,3)13(9(15)16)7-5-12-8(14)4-6(7)11/h6-7H,4-5,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+/m0/s1
InChIKeyASOFILGQKVZWFX-NKWVEPMBSA-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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Related Compounds

[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid
CID 118874609
tert-butyl-[6-oxo-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamic acid
CID 77239680
[6-amino-4-(trifluoromethyl)cyclohex-3-en-1-yl]-tert-butylcarbamic acid
CID 146472074
tert-butyl-[(3R)-7-oxoazepan-3-yl]carbamic acid
CID 97170175
tert-butyl-(4-methylpyrrolidin-3-yl)carbamic acid
CID 146156377
4-amino-5-hydroxypiperidin-2-one
CID 131579230
tert-butyl-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamic acid
CID 45092306
[2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid
CID 146472128
tert-butyl-(4-methylpiperidin-3-yl)carbamic acid
CID 67241407
(4-amino-6-oxopiperidin-3-yl) carbamate
CID 175060325
[(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid
CID 90426122
tert-butyl-[(3S,4R)-4-phenylpyrrolidin-3-yl]carbamic acid
CID 71014333

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid?
The IUPAC name of [(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid (CID 118874617) is [(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid.
What is the SMILES notation for [(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid?
The canonical SMILES for [(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CNC(=O)C[C@@H]1N.
What is the InChIKey of [(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid?
The InChIKey is ASOFILGQKVZWFX-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,3)13(9(15)16)7-5-12-8(14)4-6(7)11/h6-7H,4-5,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+/m0/s1.
What are the key properties of [(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid?
[(3R,4S)-4-amino-6-oxopiperidin-3-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 [(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid is sourced from PubChem (CID 118874617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).