4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid

C21H24N2O4 — CID 122027119

IUPAC4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C21H24N2O4/c24-19-8-6-16-10-11-23(14-17(16)13-19)21(27)22-18(7-9-20(25)26)12-15-4-2-1-3-5-15/h1-6,8,13,18,24H,7,9-12,14H2,(H,22,27)(H,25,26)
InChIKeyLPVYGDBDPRYBTF-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.94
Rot. Bonds6

About 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid

4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 122027119) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID122027119
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C21H24N2O4/c24-19-8-6-16-10-11-23(14-17(16)13-19)21(27)22-18(7-9-20(25)26)12-15-4-2-1-3-5-15/h1-6,8,13,18,24H,7,9-12,14H2,(H,22,27)(H,25,26)
InChIKeyLPVYGDBDPRYBTF-UHFFFAOYSA-N
XLogP2.94
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid with MolForge

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-5-phenylpentanoic acid
CID 122027205
4-[(5-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid
CID 122028253
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
5-phenyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]pentanoic acid
CID 122028250
N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71940924
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
5-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 54876383
4-[[4-(2-amino-2-oxoethyl)-3-oxopiperazine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027397
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[[5-(furan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027840

Frequently Asked Questions

What is the IUPAC name of 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid (CID 122027119) is 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N1CCc2ccc(O)cc2C1.
What is the InChIKey of 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is LPVYGDBDPRYBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-19-8-6-16-10-11-23(14-17(16)13-19)21(27)22-18(7-9-20(25)26)12-15-4-2-1-3-5-15/h1-6,8,13,18,24H,7,9-12,14H2,(H,22,27)(H,25,26).
What are the key properties of 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid?
4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 368.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).