acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid

C25H25N5O5 — CID 142911334

IUPACacetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid
SMILESCC(=O)O.N/N=C(\N)c1ccc2c(c1)c1ccccc1n2Cc1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C23H21N5O3.C2H4O2/c24-22(27-25)15-8-9-20-18(11-15)17-6-1-2-7-19(17)28(20)13-14-4-3-5-16(10-14)23(31)26-12-21(29)30;1-2(3)4/h1-11H,12-13,25H2,(H2,24,27)(H,26,31)(H,29,30);1H3,(H,3,4)
InChIKeyIXHTWSBWNONNJU-UHFFFAOYSA-N
MW475.51 g/mol
LogP2.33
Rot. Bonds6

About acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid

acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid (PubChem CID 142911334) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Nameacetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid
PubChem CID142911334
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC Nameacetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid
SMILESCC(=O)O.N/N=C(\N)c1ccc2c(c1)c1ccccc1n2Cc1cccc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C23H21N5O3.C2H4O2/c24-22(27-25)15-8-9-20-18(11-15)17-6-1-2-7-19(17)28(20)13-14-4-3-5-16(10-14)23(31)26-12-21(29)30;1-2(3)4/h1-11H,12-13,25H2,(H2,24,27)(H,26,31)(H,29,30);1H3,(H,3,4)
InChIKeyIXHTWSBWNONNJU-UHFFFAOYSA-N
XLogP2.33
TPSA173.03 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 52.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307
N-[(4-ethylsulfonylphenyl)methyl]-9-[(3-propan-2-yloxyphenyl)methyl]carbazole-3-carboxamide
CID 137399822
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide
CID 154537128
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888437
2-[[3-(diaminomethylideneamino)benzoyl]amino]acetic acid
CID 22608274
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
5-N-benzyl-3-chloro-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,5-dicarboxamide
CID 129094964
N-[2-(benzylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 46437314

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid?
The IUPAC name of acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid (CID 142911334) is acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid.
What is the SMILES notation for acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid?
The canonical SMILES for acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid is CC(=O)O.N/N=C(\N)c1ccc2c(c1)c1ccccc1n2Cc1cccc(C(=O)NCC(=O)O)c1.
What is the InChIKey of acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid?
The InChIKey is IXHTWSBWNONNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3.C2H4O2/c24-22(27-25)15-8-9-20-18(11-15)17-6-1-2-7-19(17)28(20)13-14-4-3-5-16(10-14)23(31)26-12-21(29)30;1-2(3)4/h1-11H,12-13,25H2,(H2,24,27)(H,26,31)(H,29,30);1H3,(H,3,4).
What are the key properties of acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid?
acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid has a molecular weight of 475.51 g/mol, XLogP of 2.33, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid is sourced from PubChem (CID 142911334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).