2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid

C19H33N3O4 — CID 122120493

IUPAC2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(=O)NCCN(CC(=O)N(C1CCC(C)CC1)C1CC1)C(C)C(=O)O
InChIInChI=1S/C19H33N3O4/c1-13-4-6-16(7-5-13)22(17-8-9-17)18(24)12-21(14(2)19(25)26)11-10-20-15(3)23/h13-14,16-17H,4-12H2,1-3H3,(H,20,23)(H,25,26)
InChIKeyJCPYWRYZROKMOV-UHFFFAOYSA-N
MW367.49 g/mol
LogP1.47
Rot. Bonds9

About 2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid

2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 122120493) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID122120493
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Name2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(=O)NCCN(CC(=O)N(C1CCC(C)CC1)C1CC1)C(C)C(=O)O
InChIInChI=1S/C19H33N3O4/c1-13-4-6-16(7-5-13)22(17-8-9-17)18(24)12-21(14(2)19(25)26)11-10-20-15(3)23/h13-14,16-17H,4-12H2,1-3H3,(H,20,23)(H,25,26)
InChIKeyJCPYWRYZROKMOV-UHFFFAOYSA-N
XLogP1.47
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid (CID 122120493) is 2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid is CC(=O)NCCN(CC(=O)N(C1CCC(C)CC1)C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is JCPYWRYZROKMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-13-4-6-16(7-5-13)22(17-8-9-17)18(24)12-21(14(2)19(25)26)11-10-20-15(3)23/h13-14,16-17H,4-12H2,1-3H3,(H,20,23)(H,25,26).
What are the key properties of 2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid?
2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 367.49 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetamidoethyl-[2-[cyclopropyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 122120493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).