2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid

C8H14N2O4 — CID 165399635

IUPAC2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid
SMILESNC(CC(=O)CC1NCCO1)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-6(8(12)13)3-5(11)4-7-10-1-2-14-7/h6-7,10H,1-4,9H2,(H,12,13)
InChIKeyIHIYPDYQVFEXPA-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.31
Rot. Bonds5

About 2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid

2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid (PubChem CID 165399635) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid.

Molecular Properties

Compound Name2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid
PubChem CID165399635
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid
SMILESNC(CC(=O)CC1NCCO1)C(=O)O
InChIInChI=1S/C8H14N2O4/c9-6(8(12)13)3-5(11)4-7-10-1-2-14-7/h6-7,10H,1-4,9H2,(H,12,13)
InChIKeyIHIYPDYQVFEXPA-UHFFFAOYSA-N
XLogP-1.31
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid?
The IUPAC name of 2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid (CID 165399635) is 2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid.
What is the SMILES notation for 2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid?
The canonical SMILES for 2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid is NC(CC(=O)CC1NCCO1)C(=O)O.
What is the InChIKey of 2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid?
The InChIKey is IHIYPDYQVFEXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-6(8(12)13)3-5(11)4-7-10-1-2-14-7/h6-7,10H,1-4,9H2,(H,12,13).
What are the key properties of 2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid?
2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1,3-oxazolidin-2-yl)-4-oxopentanoic acid is sourced from PubChem (CID 165399635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).