N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide

C12H21N3O3 — CID 146518207

IUPACN-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide
SMILESNC(=O)[C@@H](NC(=O)N1CCCC1)C1CCOCC1
InChIInChI=1S/C12H21N3O3/c13-11(16)10(9-3-7-18-8-4-9)14-12(17)15-5-1-2-6-15/h9-10H,1-8H2,(H2,13,16)(H,14,17)/t10-/m0/s1
InChIKeyYBLCUTZMWLWDQB-JTQLQIEISA-N
MW255.32 g/mol
LogP0.07
Rot. Bonds3

About N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide

N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide (PubChem CID 146518207) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide
PubChem CID146518207
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide
SMILESNC(=O)[C@@H](NC(=O)N1CCCC1)C1CCOCC1
InChIInChI=1S/C12H21N3O3/c13-11(16)10(9-3-7-18-8-4-9)14-12(17)15-5-1-2-6-15/h9-10H,1-8H2,(H2,13,16)(H,14,17)/t10-/m0/s1
InChIKeyYBLCUTZMWLWDQB-JTQLQIEISA-N
XLogP0.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide (CID 146518207) is N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide is NC(=O)[C@@H](NC(=O)N1CCCC1)C1CCOCC1.
What is the InChIKey of N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide?
The InChIKey is YBLCUTZMWLWDQB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O3/c13-11(16)10(9-3-7-18-8-4-9)14-12(17)15-5-1-2-6-15/h9-10H,1-8H2,(H2,13,16)(H,14,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide?
N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-(oxan-4-yl)-2-oxoethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146518207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).