5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid

C14H16N2O5 — CID 79844254

IUPAC5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
SMILESNC1(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)CCC1
InChIInChI=1S/C14H16N2O5/c15-14(2-1-3-14)7-11(17)16-10-5-8(12(18)19)4-9(6-10)13(20)21/h4-6H,1-3,7,15H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyDLQRWOWVHGODOP-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.29
Rot. Bonds5

About 5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid

5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid (PubChem CID 79844254) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
PubChem CID79844254
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
SMILESNC1(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)CCC1
InChIInChI=1S/C14H16N2O5/c15-14(2-1-3-14)7-11(17)16-10-5-8(12(18)19)4-9(6-10)13(20)21/h4-6H,1-3,7,15H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyDLQRWOWVHGODOP-UHFFFAOYSA-N
XLogP1.29
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
CID 64678175
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 79854745
N-(3-acetylphenyl)-2-(1-aminocyclopentyl)acetamide
CID 64679643
3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
CID 64678413
4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
CID 64676821
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
2-(1-aminocyclopentyl)-N-(4-tert-butylphenyl)acetamide
CID 64686111
2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 79853699
2-[[2-(1-aminocyclopentyl)acetyl]amino]-3,5-dibromobenzoic acid
CID 64676657
2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide
CID 79843771
2-(1-aminocyclopentyl)-N-pyrimidin-5-ylacetamide
CID 107588451

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid (CID 79844254) is 5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid is NC1(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)CCC1.
What is the InChIKey of 5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid?
The InChIKey is DLQRWOWVHGODOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c15-14(2-1-3-14)7-11(17)16-10-5-8(12(18)19)4-9(6-10)13(20)21/h4-6H,1-3,7,15H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid?
5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 79844254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).