5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid

C17H22N4O5 — CID 71949551

IUPAC5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid
SMILESCOc1ccc2c(ccn2CC(=O)NC(CCCNC(N)=O)C(=O)O)c1
InChIInChI=1S/C17H22N4O5/c1-26-12-4-5-14-11(9-12)6-8-21(14)10-15(22)20-13(16(23)24)3-2-7-19-17(18)25/h4-6,8-9,13H,2-3,7,10H2,1H3,(H,20,22)(H,23,24)(H3,18,19,25)
InChIKeyXZXOAEZZMLZWPJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.67
Rot. Bonds9

About 5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid

5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid (PubChem CID 71949551) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid
PubChem CID71949551
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid
SMILESCOc1ccc2c(ccn2CC(=O)NC(CCCNC(N)=O)C(=O)O)c1
InChIInChI=1S/C17H22N4O5/c1-26-12-4-5-14-11(9-12)6-8-21(14)10-15(22)20-13(16(23)24)3-2-7-19-17(18)25/h4-6,8-9,13H,2-3,7,10H2,1H3,(H,20,22)(H,23,24)(H3,18,19,25)
InChIKeyXZXOAEZZMLZWPJ-UHFFFAOYSA-N
XLogP0.67
TPSA135.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid (CID 71949551) is 5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid is COc1ccc2c(ccn2CC(=O)NC(CCCNC(N)=O)C(=O)O)c1.
What is the InChIKey of 5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is XZXOAEZZMLZWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-26-12-4-5-14-11(9-12)6-8-21(14)10-15(22)20-13(16(23)24)3-2-7-19-17(18)25/h4-6,8-9,13H,2-3,7,10H2,1H3,(H,20,22)(H,23,24)(H3,18,19,25).
What are the key properties of 5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid?
5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 362.39 g/mol, XLogP of 0.67, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 71949551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).