5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid

C15H20N2O4 — CID 28642443

IUPAC5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CCCC(=O)O
InChIInChI=1S/C15H20N2O4/c16-13(18)9-10-17(11-12-5-2-1-3-6-12)14(19)7-4-8-15(20)21/h1-3,5-6H,4,7-11H2,(H2,16,18)(H,20,21)
InChIKeyOALSOIJPLOYZHC-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.15
Rot. Bonds9

About 5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid

5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid (PubChem CID 28642443) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
PubChem CID28642443
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)CCCC(=O)O
InChIInChI=1S/C15H20N2O4/c16-13(18)9-10-17(11-12-5-2-1-3-6-12)14(19)7-4-8-15(20)21/h1-3,5-6H,4,7-11H2,(H2,16,18)(H,20,21)
InChIKeyOALSOIJPLOYZHC-UHFFFAOYSA-N
XLogP1.15
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide
CID 107909271
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
N',N'-dibenzylbutanediamide
CID 101024490
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-(3-amino-3-sulfanylidenepropyl)-N-benzylpentanamide
CID 82103781
3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 115949721
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid (CID 28642443) is 5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid is NC(=O)CCN(Cc1ccccc1)C(=O)CCCC(=O)O.
What is the InChIKey of 5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid?
The InChIKey is OALSOIJPLOYZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-13(18)9-10-17(11-12-5-2-1-3-6-12)14(19)7-4-8-15(20)21/h1-3,5-6H,4,7-11H2,(H2,16,18)(H,20,21).
What are the key properties of 5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid?
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28642443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).