(4R)-4-amino-5-(3-aminophenyl)pentanoic acid

C11H16N2O2 — CID 66644797

IUPAC(4R)-4-amino-5-(3-aminophenyl)pentanoic acid
SMILESNc1cccc(C[C@H](N)CCC(=O)O)c1
InChIInChI=1S/C11H16N2O2/c12-9-3-1-2-8(6-9)7-10(13)4-5-11(14)15/h1-3,6,10H,4-5,7,12-13H2,(H,14,15)/t10-/m1/s1
InChIKeyJRFUGUTXSVKBRX-SNVBAGLBSA-N
MW208.26 g/mol
LogP1.00
Rot. Bonds5

About (4R)-4-amino-5-(3-aminophenyl)pentanoic acid

(4R)-4-amino-5-(3-aminophenyl)pentanoic acid (PubChem CID 66644797) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (4R)-4-amino-5-(3-aminophenyl)pentanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-5-(3-aminophenyl)pentanoic acid
PubChem CID66644797
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(4R)-4-amino-5-(3-aminophenyl)pentanoic acid
SMILESNc1cccc(C[C@H](N)CCC(=O)O)c1
InChIInChI=1S/C11H16N2O2/c12-9-3-1-2-8(6-9)7-10(13)4-5-11(14)15/h1-3,6,10H,4-5,7,12-13H2,(H,14,15)/t10-/m1/s1
InChIKeyJRFUGUTXSVKBRX-SNVBAGLBSA-N
XLogP1.00
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-amino-5-(4-aminophenyl)pentanoic acid
CID 66644557
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
4-amino-4-(3-aminophenyl)butanoic acid
CID 55296717
(4R)-4-amino-5-pyridin-4-ylpentanoic acid
CID 66644679
3-(3-aminophenyl)-2-methylpropanoic acid
CID 66894775
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
5-[[2-(3-aminophenyl)acetyl]amino]-4-methylpentanoic acid
CID 82689160
(4S)-4-amino-5-phenylpentanamide;hydrochloride
CID 137464473
5-amino-6-phenylhexan-2-one
CID 90094782
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688
4-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 62961520

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-(3-aminophenyl)pentanoic acid?
The IUPAC name of (4R)-4-amino-5-(3-aminophenyl)pentanoic acid (CID 66644797) is (4R)-4-amino-5-(3-aminophenyl)pentanoic acid.
What is the SMILES notation for (4R)-4-amino-5-(3-aminophenyl)pentanoic acid?
The canonical SMILES for (4R)-4-amino-5-(3-aminophenyl)pentanoic acid is Nc1cccc(C[C@H](N)CCC(=O)O)c1.
What is the InChIKey of (4R)-4-amino-5-(3-aminophenyl)pentanoic acid?
The InChIKey is JRFUGUTXSVKBRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-9-3-1-2-8(6-9)7-10(13)4-5-11(14)15/h1-3,6,10H,4-5,7,12-13H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (4R)-4-amino-5-(3-aminophenyl)pentanoic acid?
(4R)-4-amino-5-(3-aminophenyl)pentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-(3-aminophenyl)pentanoic acid is sourced from PubChem (CID 66644797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).