(2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide

C13H26N4O3 — CID 138603639

IUPAC(2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide
SMILESCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C13H26N4O3/c1-8(2)7-11(12(15)19)17-13(20)10(5-4-6-14)16-9(3)18/h8,10-11H,4-7,14H2,1-3H3,(H2,15,19)(H,16,18)(H,17,20)/t10-,11-/m0/s1
InChIKeyLJAZXFCZKNPJEG-QWRGUYRKSA-N
MW286.38 g/mol
LogP-0.75
Rot. Bonds9

About (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide

(2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide (PubChem CID 138603639) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide
PubChem CID138603639
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name(2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide
SMILESCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C13H26N4O3/c1-8(2)7-11(12(15)19)17-13(20)10(5-4-6-14)16-9(3)18/h8,10-11H,4-7,14H2,1-3H3,(H2,15,19)(H,16,18)(H,17,20)/t10-,11-/m0/s1
InChIKeyLJAZXFCZKNPJEG-QWRGUYRKSA-N
XLogP-0.75
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide (CID 138603639) is (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide is CC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide?
The InChIKey is LJAZXFCZKNPJEG-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-8(2)7-11(12(15)19)17-13(20)10(5-4-6-14)16-9(3)18/h8,10-11H,4-7,14H2,1-3H3,(H2,15,19)(H,16,18)(H,17,20)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide?
(2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide has a molecular weight of 286.38 g/mol, XLogP of -0.75, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-acetamido-5-aminopentanoyl]amino]-4-methylpentanamide is sourced from PubChem (CID 138603639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).