4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid

C16H22N2O3 — CID 64890090

IUPAC4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid
SMILESCc1ccc(CN(C(=O)C(N)CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-2-4-12(5-3-11)10-18(13-6-7-13)16(21)14(17)8-9-15(19)20/h2-5,13-14H,6-10,17H2,1H3,(H,19,20)
InChIKeyCLBOVTMDSPBJLR-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.68
Rot. Bonds7

About 4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid

4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid (PubChem CID 64890090) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid
PubChem CID64890090
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid
SMILESCc1ccc(CN(C(=O)C(N)CCC(=O)O)C2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-2-4-12(5-3-11)10-18(13-6-7-13)16(21)14(17)8-9-15(19)20/h2-5,13-14H,6-10,17H2,1H3,(H,19,20)
InChIKeyCLBOVTMDSPBJLR-UHFFFAOYSA-N
XLogP1.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid (CID 64890090) is 4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid is Cc1ccc(CN(C(=O)C(N)CCC(=O)O)C2CC2)cc1.
What is the InChIKey of 4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid?
The InChIKey is CLBOVTMDSPBJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-2-4-12(5-3-11)10-18(13-6-7-13)16(21)14(17)8-9-15(19)20/h2-5,13-14H,6-10,17H2,1H3,(H,19,20).
What are the key properties of 4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid?
4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 64890090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).