5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid

C15H19N3O4 — CID 53390036

IUPAC5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)O
InChIInChI=1S/C15H19N3O4/c16-13(19)6-5-11(15(21)22)18-14(20)12-7-9-3-1-2-4-10(9)8-17-12/h1-4,11-12,17H,5-8H2,(H2,16,19)(H,18,20)(H,21,22)/t11?,12-/m0/s1
InChIKeyWBFIVYKSAGQTLH-KIYNQFGBSA-N
MW305.33 g/mol
LogP-0.46
Rot. Bonds6

About 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid

5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid (PubChem CID 53390036) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
PubChem CID53390036
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
SMILESNC(=O)CCC(NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)O
InChIInChI=1S/C15H19N3O4/c16-13(19)6-5-11(15(21)22)18-14(20)12-7-9-3-1-2-4-10(9)8-17-12/h1-4,11-12,17H,5-8H2,(H2,16,19)(H,18,20)(H,21,22)/t11?,12-/m0/s1
InChIKeyWBFIVYKSAGQTLH-KIYNQFGBSA-N
XLogP-0.46
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-amino-4-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoic acid
CID 53390034
(2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 103869739
(2R)-4-methylsulfanyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoic acid
CID 104909362
N-(3-amino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43553630
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
ethyl (E,4S)-7-amino-4-[[(2S)-4-methyl-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoyl]amino]-7-oxohept-2-enoate
CID 16724386
(3S)-N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106235752
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
3-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)butanoic acid
CID 61162351
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314
methyl 3-phenyl-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate;hydrochloride
CID 119290984
5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107435545

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid (CID 53390036) is 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid is NC(=O)CCC(NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid?
The InChIKey is WBFIVYKSAGQTLH-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H19N3O4/c16-13(19)6-5-11(15(21)22)18-14(20)12-7-9-3-1-2-4-10(9)8-17-12/h1-4,11-12,17H,5-8H2,(H2,16,19)(H,18,20)(H,21,22)/t11?,12-/m0/s1.
What are the key properties of 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid?
5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid has a molecular weight of 305.33 g/mol, XLogP of -0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 53390036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).