tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate

C14H25N3O3 — CID 139885058

IUPACtert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate
SMILESC=CCN1CC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25N3O3/c1-5-7-17-8-6-11(10-17)16-12(18)9-15-13(19)20-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyRKAYFETWCZWJJZ-NSHDSACASA-N
MW283.37 g/mol
LogP0.89
Rot. Bonds5

About tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate (PubChem CID 139885058) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate
PubChem CID139885058
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate
SMILESC=CCN1CC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25N3O3/c1-5-7-17-8-6-11(10-17)16-12(18)9-15-13(19)20-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyRKAYFETWCZWJJZ-NSHDSACASA-N
XLogP0.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate (CID 139885058) is tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate is C=CCN1CC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate?
The InChIKey is RKAYFETWCZWJJZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-7-17-8-6-11(10-17)16-12(18)9-15-13(19)20-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,19)(H,16,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate has a molecular weight of 283.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[[(3S)-1-prop-2-enylpyrrolidin-3-yl]amino]ethyl]carbamate is sourced from PubChem (CID 139885058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).