N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide

C12H16N2O4 — CID 56744300

IUPACN-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)N[C@@H]2CC[C@@H](N)C2)cc1=O
InChIInChI=1S/C12H16N2O4/c1-17-11-6-18-10(5-9(11)15)12(16)14-8-3-2-7(13)4-8/h5-8H,2-4,13H2,1H3,(H,14,16)/t7-,8-/m1/s1
InChIKeyIKBHCVNXPUCPFT-HTQZYQBOSA-N
MW252.27 g/mol
LogP0.26
Rot. Bonds3

About N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide

N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide (PubChem CID 56744300) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide
PubChem CID56744300
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)N[C@@H]2CC[C@@H](N)C2)cc1=O
InChIInChI=1S/C12H16N2O4/c1-17-11-6-18-10(5-9(11)15)12(16)14-8-3-2-7(13)4-8/h5-8H,2-4,13H2,1H3,(H,14,16)/t7-,8-/m1/s1
InChIKeyIKBHCVNXPUCPFT-HTQZYQBOSA-N
XLogP0.26
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide (CID 56744300) is N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide is COc1coc(C(=O)N[C@@H]2CC[C@@H](N)C2)cc1=O.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide?
The InChIKey is IKBHCVNXPUCPFT-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-11-6-18-10(5-9(11)15)12(16)14-8-3-2-7(13)4-8/h5-8H,2-4,13H2,1H3,(H,14,16)/t7-,8-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide?
N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-5-methoxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 56744300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).