4-(4-aminopentanoylamino)oxane-4-carboxylic acid

C11H20N2O4 — CID 115292369

IUPAC4-(4-aminopentanoylamino)oxane-4-carboxylic acid
SMILESCC(N)CCC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H20N2O4/c1-8(12)2-3-9(14)13-11(10(15)16)4-6-17-7-5-11/h8H,2-7,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyPTYCVFSZTMYRJI-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.14
Rot. Bonds5

About 4-(4-aminopentanoylamino)oxane-4-carboxylic acid

4-(4-aminopentanoylamino)oxane-4-carboxylic acid (PubChem CID 115292369) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(4-aminopentanoylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-aminopentanoylamino)oxane-4-carboxylic acid
PubChem CID115292369
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-(4-aminopentanoylamino)oxane-4-carboxylic acid
SMILESCC(N)CCC(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H20N2O4/c1-8(12)2-3-9(14)13-11(10(15)16)4-6-17-7-5-11/h8H,2-7,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyPTYCVFSZTMYRJI-UHFFFAOYSA-N
XLogP-0.14
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-amino-4-methylhexanoyl)amino]oxane-4-carboxylic acid
CID 115292419
4-(4-aminobutanoylamino)oxane-4-carboxylic acid
CID 115292423
4-[(2-methylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291747
4-(4-ethoxybutanoylamino)oxane-4-carboxylic acid
CID 113280130
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid
CID 115292421
4-(3,3,3-trifluoropropanoylamino)oxane-4-carboxylic acid
CID 71222479
4-(6-methylheptan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 115292985
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 115291678
4-[3-(2-methylphenyl)propanoylamino]oxane-4-carboxylic acid
CID 115291472
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82962021

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopentanoylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(4-aminopentanoylamino)oxane-4-carboxylic acid (CID 115292369) is 4-(4-aminopentanoylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(4-aminopentanoylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(4-aminopentanoylamino)oxane-4-carboxylic acid is CC(N)CCC(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(4-aminopentanoylamino)oxane-4-carboxylic acid?
The InChIKey is PTYCVFSZTMYRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(12)2-3-9(14)13-11(10(15)16)4-6-17-7-5-11/h8H,2-7,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-(4-aminopentanoylamino)oxane-4-carboxylic acid?
4-(4-aminopentanoylamino)oxane-4-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopentanoylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 115292369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).