N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide

C14H25N3O3 — CID 68564799

IUPACN-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide
SMILESCO[C@@H]1CC[C@H](N2CCC(N)C2=O)[C@H](CNC(C)=O)C1
InChIInChI=1S/C14H25N3O3/c1-9(18)16-8-10-7-11(20-2)3-4-13(10)17-6-5-12(15)14(17)19/h10-13H,3-8,15H2,1-2H3,(H,16,18)/t10-,11+,12?,13-/m0/s1
InChIKeyFAYCLSPITIWLKD-HNGCFSAESA-N
MW283.37 g/mol
LogP-0.13
Rot. Bonds4

About N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide

N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide (PubChem CID 68564799) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide
PubChem CID68564799
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide
SMILESCO[C@@H]1CC[C@H](N2CCC(N)C2=O)[C@H](CNC(C)=O)C1
InChIInChI=1S/C14H25N3O3/c1-9(18)16-8-10-7-11(20-2)3-4-13(10)17-6-5-12(15)14(17)19/h10-13H,3-8,15H2,1-2H3,(H,16,18)/t10-,11+,12?,13-/m0/s1
InChIKeyFAYCLSPITIWLKD-HNGCFSAESA-N
XLogP-0.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide?
The IUPAC name of N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide (CID 68564799) is N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide is CO[C@@H]1CC[C@H](N2CCC(N)C2=O)[C@H](CNC(C)=O)C1.
What is the InChIKey of N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide?
The InChIKey is FAYCLSPITIWLKD-HNGCFSAESA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9(18)16-8-10-7-11(20-2)3-4-13(10)17-6-5-12(15)14(17)19/h10-13H,3-8,15H2,1-2H3,(H,16,18)/t10-,11+,12?,13-/m0/s1.
What are the key properties of N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide?
N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide has a molecular weight of 283.37 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,5R)-2-(3-amino-2-oxopyrrolidin-1-yl)-5-methoxycyclohexyl]methyl]acetamide is sourced from PubChem (CID 68564799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).