2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide

C8H13N3O2 — CID 138393122

IUPAC2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide
SMILESC=C(N)C(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C8H13N3O2/c1-5(9)7(12)11-6-3-2-4-10-8(6)13/h6H,1-4,9H2,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyRHIQFUWPOXFGTG-LURJTMIESA-N
MW183.21 g/mol
LogP-1.15
Rot. Bonds2

About 2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide

2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide (PubChem CID 138393122) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide
PubChem CID138393122
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide
SMILESC=C(N)C(=O)N[C@H]1CCCNC1=O
InChIInChI=1S/C8H13N3O2/c1-5(9)7(12)11-6-3-2-4-10-8(6)13/h6H,1-4,9H2,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyRHIQFUWPOXFGTG-LURJTMIESA-N
XLogP-1.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide?
The IUPAC name of 2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide (CID 138393122) is 2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide.
What is the SMILES notation for 2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide?
The canonical SMILES for 2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide is C=C(N)C(=O)N[C@H]1CCCNC1=O.
What is the InChIKey of 2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide?
The InChIKey is RHIQFUWPOXFGTG-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(9)7(12)11-6-3-2-4-10-8(6)13/h6H,1-4,9H2,(H,10,13)(H,11,12)/t6-/m0/s1.
What are the key properties of 2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide?
2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide has a molecular weight of 183.21 g/mol, XLogP of -1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S)-2-oxopiperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 138393122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).