5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid

C12H22N2O5 — CID 22804611

IUPAC5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-8(5-6-10(15)16)11(17)14-9(12(18)19)4-2-3-7-13/h8-9H,2-7,13H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t8?,9-/m0/s1
InChIKeyQPHNITRJBPXMKG-GKAPJAKFSA-N
MW274.32 g/mol
LogP0.19
Rot. Bonds10

About 5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid

5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid (PubChem CID 22804611) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid
PubChem CID22804611
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid
SMILESCC(CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-8(5-6-10(15)16)11(17)14-9(12(18)19)4-2-3-7-13/h8-9H,2-7,13H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t8?,9-/m0/s1
InChIKeyQPHNITRJBPXMKG-GKAPJAKFSA-N
XLogP0.19
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid (CID 22804611) is 5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid is CC(CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of 5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid?
The InChIKey is QPHNITRJBPXMKG-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-8(5-6-10(15)16)11(17)14-9(12(18)19)4-2-3-7-13/h8-9H,2-7,13H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t8?,9-/m0/s1.
What are the key properties of 5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid?
5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.19, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-5-amino-1-carboxypentyl]amino]-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 22804611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).