4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid

C9H14N2O5 — CID 66221855

IUPAC4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid
SMILESCC(=O)NCC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C9H14N2O5/c1-5(12)10-2-8(13)11-7-4-16-3-6(7)9(14)15/h6-7H,2-4H2,1H3,(H,10,12)(H,11,13)(H,14,15)
InChIKeyNCQFJXFIWWRCPE-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.66
Rot. Bonds4

About 4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid

4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid (PubChem CID 66221855) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid
PubChem CID66221855
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid
SMILESCC(=O)NCC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C9H14N2O5/c1-5(12)10-2-8(13)11-7-4-16-3-6(7)9(14)15/h6-7H,2-4H2,1H3,(H,10,12)(H,11,13)(H,14,15)
InChIKeyNCQFJXFIWWRCPE-UHFFFAOYSA-N
XLogP-1.66
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82961331
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754
2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
CID 64814150
4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
CID 114873780
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid
CID 66223983
4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222270
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146041857
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid (CID 66221855) is 4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid is CC(=O)NCC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NCQFJXFIWWRCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-5(12)10-2-8(13)11-7-4-16-3-6(7)9(14)15/h6-7H,2-4H2,1H3,(H,10,12)(H,11,13)(H,14,15).
What are the key properties of 4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid?
4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of -1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66221855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).