5-amino-2-(4-aminoanilino)-5-oxopentanoic acid

C11H15N3O3 — CID 70627303

IUPAC5-amino-2-(4-aminoanilino)-5-oxopentanoic acid
SMILESNC(=O)CCC(Nc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c12-7-1-3-8(4-2-7)14-9(11(16)17)5-6-10(13)15/h1-4,9,14H,5-6,12H2,(H2,13,15)(H,16,17)
InChIKeyLNPNQAFOOUBWMM-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.40
Rot. Bonds6

About 5-amino-2-(4-aminoanilino)-5-oxopentanoic acid

5-amino-2-(4-aminoanilino)-5-oxopentanoic acid (PubChem CID 70627303) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-amino-2-(4-aminoanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(4-aminoanilino)-5-oxopentanoic acid
PubChem CID70627303
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-amino-2-(4-aminoanilino)-5-oxopentanoic acid
SMILESNC(=O)CCC(Nc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c12-7-1-3-8(4-2-7)14-9(11(16)17)5-6-10(13)15/h1-4,9,14H,5-6,12H2,(H2,13,15)(H,16,17)
InChIKeyLNPNQAFOOUBWMM-UHFFFAOYSA-N
XLogP0.40
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-amino-2-anilino-5-oxopentanoic acid
CID 54197392
(2S)-5-amino-2-[4-(3-ethoxy-3-oxoprop-1-enyl)anilino]-5-oxopentanoic acid
CID 54418834
(2S)-2-(4-bromoanilino)pentanoic acid
CID 40788491
2-(4-ethenylanilino)pentanedioic acid
CID 175364678
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
CID 43084994
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid
CID 54495250
2-[4-(2-amino-2-oxoethyl)anilino]butanoic acid
CID 115352781
(2S)-5-amino-2-[(3,4-dimethylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61191311
(2S)-5-amino-2-[(1-methylpyrrole-3-carbonyl)amino]-5-oxopentanoic acid
CID 110834835
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-aminoanilino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(4-aminoanilino)-5-oxopentanoic acid (CID 70627303) is 5-amino-2-(4-aminoanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(4-aminoanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(4-aminoanilino)-5-oxopentanoic acid is NC(=O)CCC(Nc1ccc(N)cc1)C(=O)O.
What is the InChIKey of 5-amino-2-(4-aminoanilino)-5-oxopentanoic acid?
The InChIKey is LNPNQAFOOUBWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-7-1-3-8(4-2-7)14-9(11(16)17)5-6-10(13)15/h1-4,9,14H,5-6,12H2,(H2,13,15)(H,16,17).
What are the key properties of 5-amino-2-(4-aminoanilino)-5-oxopentanoic acid?
5-amino-2-(4-aminoanilino)-5-oxopentanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.40, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-aminoanilino)-5-oxopentanoic acid is sourced from PubChem (CID 70627303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).