2-amino-2-anilinopentanedioic acid

C11H14N2O4 — CID 19022725

IUPAC2-amino-2-anilinopentanedioic acid
SMILESNC(CCC(=O)O)(Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c12-11(10(16)17,7-6-9(14)15)13-8-4-2-1-3-5-8/h1-5,13H,6-7,12H2,(H,14,15)(H,16,17)
InChIKeyVIVWTVLYIKYVII-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.70
Rot. Bonds6

About 2-amino-2-anilinopentanedioic acid

2-amino-2-anilinopentanedioic acid (PubChem CID 19022725) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-amino-2-anilinopentanedioic acid.

Molecular Properties

Compound Name2-amino-2-anilinopentanedioic acid
PubChem CID19022725
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-amino-2-anilinopentanedioic acid
SMILESNC(CCC(=O)O)(Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O4/c12-11(10(16)17,7-6-9(14)15)13-8-4-2-1-3-5-8/h1-5,13H,6-7,12H2,(H,14,15)(H,16,17)
InChIKeyVIVWTVLYIKYVII-UHFFFAOYSA-N
XLogP0.70
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(benzylamino)pentanedioic acid
CID 19080242
(2R)-2-amino-2-anilino-5-oxo-5-phenylmethoxypentanoic acid;2,2,2-trifluoroacetic acid
CID 70045446
4-anilino-4-methylhexanoic acid
CID 70438970
(2R)-2-amino-2-anilino-4-tert-butylpentanedioic acid
CID 70046941
(2R)-2-amino-2-tritylpentanedioic acid
CID 176719720
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
2-amino-2-(2-phenylacetyl)pentanedioic acid
CID 23292574
2-anilino-2-methylpentanoic acid
CID 60992039
(2R)-2-amino-2-benzylsulfanylpentanedioic acid
CID 57316148
4-amino-4-methylsulfanyl-4-phenylbutanoic acid
CID 70122128
2-anilino-2-hydroxypropanoic acid
CID 159388558
(2R)-2-amino-2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]pentanedioic acid
CID 123439345

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-anilinopentanedioic acid?
The IUPAC name of 2-amino-2-anilinopentanedioic acid (CID 19022725) is 2-amino-2-anilinopentanedioic acid.
What is the SMILES notation for 2-amino-2-anilinopentanedioic acid?
The canonical SMILES for 2-amino-2-anilinopentanedioic acid is NC(CCC(=O)O)(Nc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-2-anilinopentanedioic acid?
The InChIKey is VIVWTVLYIKYVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c12-11(10(16)17,7-6-9(14)15)13-8-4-2-1-3-5-8/h1-5,13H,6-7,12H2,(H,14,15)(H,16,17).
What are the key properties of 2-amino-2-anilinopentanedioic acid?
2-amino-2-anilinopentanedioic acid has a molecular weight of 238.24 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-anilinopentanedioic acid is sourced from PubChem (CID 19022725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).