[(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate

C14H23N3O6 — CID 70199922

IUPAC[(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate
SMILESCCCN(CC)C(=O)[C@@H]1OC(OC(=O)O)=C[C@H](N)[C@H]1NC(C)=O
InChIInChI=1S/C14H23N3O6/c1-4-6-17(5-2)13(19)12-11(16-8(3)18)9(15)7-10(22-12)23-14(20)21/h7,9,11-12H,4-6,15H2,1-3H3,(H,16,18)(H,20,21)/t9-,11+,12+/m0/s1
InChIKeyOIKMKNGZYHIHQV-MVWJERBFSA-N
MW329.35 g/mol
LogP0.01
Rot. Bonds6

About [(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate

[(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate (PubChem CID 70199922) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is [(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate.

Molecular Properties

Compound Name[(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate
PubChem CID70199922
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name[(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate
SMILESCCCN(CC)C(=O)[C@@H]1OC(OC(=O)O)=C[C@H](N)[C@H]1NC(C)=O
InChIInChI=1S/C14H23N3O6/c1-4-6-17(5-2)13(19)12-11(16-8(3)18)9(15)7-10(22-12)23-14(20)21/h7,9,11-12H,4-6,15H2,1-3H3,(H,16,18)(H,20,21)/t9-,11+,12+/m0/s1
InChIKeyOIKMKNGZYHIHQV-MVWJERBFSA-N
XLogP0.01
TPSA131.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate?
The IUPAC name of [(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate (CID 70199922) is [(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate.
What is the SMILES notation for [(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate?
The canonical SMILES for [(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate is CCCN(CC)C(=O)[C@@H]1OC(OC(=O)O)=C[C@H](N)[C@H]1NC(C)=O.
What is the InChIKey of [(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate?
The InChIKey is OIKMKNGZYHIHQV-MVWJERBFSA-N. The full InChI is InChI=1S/C14H23N3O6/c1-4-6-17(5-2)13(19)12-11(16-8(3)18)9(15)7-10(22-12)23-14(20)21/h7,9,11-12H,4-6,15H2,1-3H3,(H,16,18)(H,20,21)/t9-,11+,12+/m0/s1.
What are the key properties of [(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate?
[(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate has a molecular weight of 329.35 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-3-acetamido-4-amino-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-yl] hydrogen carbonate is sourced from PubChem (CID 70199922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).