2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid

C21H26N4O4 — CID 145488382

IUPAC2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
SMILESNCCCC(NC(=O)c1nccc2ccccc12)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C21H26N4O4/c22-11-4-9-17(19(26)24-16-8-3-7-15(16)21(28)29)25-20(27)18-14-6-2-1-5-13(14)10-12-23-18/h1-2,5-6,10,12,15-17H,3-4,7-9,11,22H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyJBPVLNSOONGNTM-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.44
Rot. Bonds8

About 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid

2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 145488382) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID145488382
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
SMILESNCCCC(NC(=O)c1nccc2ccccc12)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C21H26N4O4/c22-11-4-9-17(19(26)24-16-8-3-7-15(16)21(28)29)25-20(27)18-14-6-2-1-5-13(14)10-12-23-18/h1-2,5-6,10,12,15-17H,3-4,7-9,11,22H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyJBPVLNSOONGNTM-UHFFFAOYSA-N
XLogP1.44
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1R,2S)-2-[[(2S)-5-amino-2-(isoquinoline-3-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 163857323
2-[[5-amino-2-(imidazo[1,2-a]pyridine-6-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 145488362
cis-(1R,2S)-2-[[(2S)-2-[(1-methylindazole-3-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453915
cis-methyl (1R,2S)-2-[[(2S)-5-amino-2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylate
CID 145488282
cis-(1R,2S)-2-[[(2S)-2-[(6-chloropyridine-2-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453841
N-[2-(aminomethyl)cyclohexyl]isoquinoline-1-carboxamide;dihydrochloride
CID 119610583
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
cis-phenacyl (1R,2S)-2-[[(2S)-2-(naphthalene-2-carbonylamino)hexanoyl]amino]cyclopentane-1-carboxylate
CID 59453968
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 165480945
cis-phenacyl (1R,2S)-2-[[(2S)-5-amino-2-[(4-chlorophenyl)methylamino]pentanoyl]amino]cyclopentane-1-carboxylate
CID 145488452
cis-(1R,2S)-2-[[(2S)-2-[(1-methylindole-5-carbonyl)amino]hexanoyl]amino]cyclopentane-1-carboxylic acid
CID 59453855

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid (CID 145488382) is 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid is NCCCC(NC(=O)c1nccc2ccccc12)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JBPVLNSOONGNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c22-11-4-9-17(19(26)24-16-8-3-7-15(16)21(28)29)25-20(27)18-14-6-2-1-5-13(14)10-12-23-18/h1-2,5-6,10,12,15-17H,3-4,7-9,11,22H2,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid?
2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 398.46 g/mol, XLogP of 1.44, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-(isoquinoline-1-carbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 145488382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).