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

C26H36N2O4 — CID 3037347

IUPAC(4S)-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-/m0/s1
InChIKeyLFMMKOQRKPJBIG-QHCPKHFHSA-N
MW440.58 g/mol
LogP5.01
Rot. Bonds14

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

(4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid (PubChem CID 3037347) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is (4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid
PubChem CID3037347
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name(4S)-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-/m0/s1
InChIKeyLFMMKOQRKPJBIG-QHCPKHFHSA-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'}

Analyze (4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
(4S)-5-(dioctylamino)-4-(dodecanoylamino)-5-oxopentanoic acid
CID 22868498
(4S)-5-(dipentylamino)-5-oxo-4-(3-phenylprop-2-enoylamino)pentanoic acid
CID 67898518
(4R)-5-(dipropylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid
CID 14720390
5-[butyl(methyl)amino]-4-[(3-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 67832580
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
(4S)-4-[(4-chlorophenyl)carbamoylamino]-5-(dipentylamino)-5-oxopentanoic acid
CID 67898893
(4S)-5-(dipentylamino)-5-oxo-4-[[(2S)-2-(3-phenylpropanoylamino)-3-(4-phosphonooxyphenyl)propanoyl]amino]pentanoic acid
CID 10580224
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
(4S)-5-(dioctylamino)-4-(octylamino)-5-oxopentanoic acid
CID 139816413
5-(diheptylamino)-4-(octadecylamino)-5-oxopentanoic acid
CID 174970280
[6-[[4-carboxy-1-(dihexadecylamino)-1-oxobutan-2-yl]amino]-6-oxohexyl]-trimethylazanium
CID 102008762

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid?
The IUPAC name of (4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid (CID 3037347) is (4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid?
The canonical SMILES for (4S)-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 (4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid?
The InChIKey is LFMMKOQRKPJBIG-QHCPKHFHSA-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-/m0/s1.
What are the key properties of (4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid?
(4S)-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 (4S)-5-(dipentylamino)-4-(naphthalene-2-carbonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 3037347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).