(2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide

C19H31FN4O2 — CID 54416444

IUPAC(2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](NC(=O)[C@H](N)CCCN)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H31FN4O2/c1-13(2)12-17(24-18(25)16(22)4-3-10-21)19(26)23-11-9-14-5-7-15(20)8-6-14/h5-8,13,16-17H,3-4,9-12,21-22H2,1-2H3,(H,23,26)(H,24,25)/t16-,17-/m1/s1
InChIKeyVXTXYSJNATULME-IAGOWNOFSA-N
MW366.48 g/mol
LogP1.08
Rot. Bonds11

About (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide

(2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide (PubChem CID 54416444) has the molecular formula C19H31FN4O2 and a molecular weight of 366.48 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide
PubChem CID54416444
Molecular FormulaC19H31FN4O2
Molecular Weight366.48 g/mol
Exact Mass366.24
IUPAC Name(2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](NC(=O)[C@H](N)CCCN)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H31FN4O2/c1-13(2)12-17(24-18(25)16(22)4-3-10-21)19(26)23-11-9-14-5-7-15(20)8-6-14/h5-8,13,16-17H,3-4,9-12,21-22H2,1-2H3,(H,23,26)(H,24,25)/t16-,17-/m1/s1
InChIKeyVXTXYSJNATULME-IAGOWNOFSA-N
XLogP1.08
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide (CID 54416444) is (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide is CC(C)C[C@@H](NC(=O)[C@H](N)CCCN)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide?
The InChIKey is VXTXYSJNATULME-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H31FN4O2/c1-13(2)12-17(24-18(25)16(22)4-3-10-21)19(26)23-11-9-14-5-7-15(20)8-6-14/h5-8,13,16-17H,3-4,9-12,21-22H2,1-2H3,(H,23,26)(H,24,25)/t16-,17-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide?
(2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide has a molecular weight of 366.48 g/mol, XLogP of 1.08, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2,5-diaminopentanoyl]amino]-N-[2-(4-fluorophenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 54416444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).