(3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid

C11H23N3O3 — CID 23630629

IUPAC(3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid
SMILESC[C@H](N)CC(=O)N[C@@H](CCCCN)CC(=O)O
InChIInChI=1S/C11H23N3O3/c1-8(13)6-10(15)14-9(7-11(16)17)4-2-3-5-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1
InChIKeyZXLNYNWTLLIADW-IUCAKERBSA-N
MW245.32 g/mol
LogP-0.19
Rot. Bonds9

About (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid

(3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid (PubChem CID 23630629) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid.

Molecular Properties

Compound Name(3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid
PubChem CID23630629
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name(3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid
SMILESC[C@H](N)CC(=O)N[C@@H](CCCCN)CC(=O)O
InChIInChI=1S/C11H23N3O3/c1-8(13)6-10(15)14-9(7-11(16)17)4-2-3-5-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1
InChIKeyZXLNYNWTLLIADW-IUCAKERBSA-N
XLogP-0.19
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.19
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 (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid?
The IUPAC name of (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid (CID 23630629) is (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid.
What is the SMILES notation for (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid?
The canonical SMILES for (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid is C[C@H](N)CC(=O)N[C@@H](CCCCN)CC(=O)O.
What is the InChIKey of (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid?
The InChIKey is ZXLNYNWTLLIADW-IUCAKERBSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-8(13)6-10(15)14-9(7-11(16)17)4-2-3-5-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)/t8-,9-/m0/s1.
What are the key properties of (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid?
(3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid has a molecular weight of 245.32 g/mol, XLogP of -0.19, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-amino-3-[[(3S)-3-aminobutanoyl]amino]heptanoic acid is sourced from PubChem (CID 23630629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).