(4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid

C26H36N2O4 — CID 10478431

IUPAC(4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid
SMILESCCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C26H36N2O4/c1-3-5-9-17-28(18-10-6-4-2)26(32)23(15-16-24(29)30)27-25(31)22-14-13-20-11-7-8-12-21(20)19-22/h7-8,11-14,19,23H,3-6,9-10,15-18H2,1-2H3,(H,27,31)(H,29,30)/t23-/m1/s1
InChIKeyLFMMKOQRKPJBIG-HSZRJFAPSA-N
MW440.58 g/mol
LogP5.01
Rot. Bonds14

About (4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid

(4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid (PubChem CID 10478431) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is (4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid
PubChem CID10478431
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name(4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid
SMILESCCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C26H36N2O4/c1-3-5-9-17-28(18-10-6-4-2)26(32)23(15-16-24(29)30)27-25(31)22-14-13-20-11-7-8-12-21(20)19-22/h7-8,11-14,19,23H,3-6,9-10,15-18H2,1-2H3,(H,27,31)(H,29,30)/t23-/m1/s1
InChIKeyLFMMKOQRKPJBIG-HSZRJFAPSA-N
XLogP5.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid?
The IUPAC name of (4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid (CID 10478431) is (4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid is CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid?
The InChIKey is LFMMKOQRKPJBIG-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-3-5-9-17-28(18-10-6-4-2)26(32)23(15-16-24(29)30)27-25(31)22-14-13-20-11-7-8-12-21(20)19-22/h7-8,11-14,19,23H,3-6,9-10,15-18H2,1-2H3,(H,27,31)(H,29,30)/t23-/m1/s1.
What are the key properties of (4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid?
(4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid has a molecular weight of 440.58 g/mol, XLogP of 5.01, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 10478431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).