2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid

C10H12N2O3 — CID 170069281

IUPAC2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid
SMILESNC1=CC=C(C(=O)NCC(=O)O)CC=C1
InChIInChI=1S/C10H12N2O3/c11-8-3-1-2-7(4-5-8)10(15)12-6-9(13)14/h1,3-5H,2,6,11H2,(H,12,15)(H,13,14)
InChIKeyWOFIWZUFINZLTE-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.08
Rot. Bonds3

About 2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid

2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid (PubChem CID 170069281) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid
PubChem CID170069281
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid
SMILESNC1=CC=C(C(=O)NCC(=O)O)CC=C1
InChIInChI=1S/C10H12N2O3/c11-8-3-1-2-7(4-5-8)10(15)12-6-9(13)14/h1,3-5H,2,6,11H2,(H,12,15)(H,13,14)
InChIKeyWOFIWZUFINZLTE-UHFFFAOYSA-N
XLogP-0.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
2-[(4-amino-3,5-dihydroxybenzoyl)amino]acetic acid
CID 140974704
2-[[2-[(2-aminobenzoyl)amino]benzoyl]amino]acetic acid
CID 10686637
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 130609460
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
2-[(5-amino-2-chloro-4-fluorobenzoyl)amino]acetic acid
CID 86713109
2-benzamidoacetic acid;hydrofluoride
CID 174760685
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid (CID 170069281) is 2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid is NC1=CC=C(C(=O)NCC(=O)O)CC=C1.
What is the InChIKey of 2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid?
The InChIKey is WOFIWZUFINZLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-8-3-1-2-7(4-5-8)10(15)12-6-9(13)14/h1,3-5H,2,6,11H2,(H,12,15)(H,13,14).
What are the key properties of 2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid?
2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid has a molecular weight of 208.22 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohepta-1,3,5-triene-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 170069281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).