2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid

C10H19N3O4 — CID 90189361

IUPAC2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C(=O)CN)C(=O)CN
InChIInChI=1S/C10H19N3O4/c1-6(2)3-7(10(16)17)13(8(14)4-11)9(15)5-12/h6-7H,3-5,11-12H2,1-2H3,(H,16,17)
InChIKeyLFUHOQWCWQVAHN-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.24
Rot. Bonds6

About 2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid

2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid (PubChem CID 90189361) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid
PubChem CID90189361
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)N(C(=O)CN)C(=O)CN
InChIInChI=1S/C10H19N3O4/c1-6(2)3-7(10(16)17)13(8(14)4-11)9(15)5-12/h6-7H,3-5,11-12H2,1-2H3,(H,16,17)
InChIKeyLFUHOQWCWQVAHN-UHFFFAOYSA-N
XLogP-1.24
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid (CID 90189361) is 2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid is CC(C)CC(C(=O)O)N(C(=O)CN)C(=O)CN.
What is the InChIKey of 2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid?
The InChIKey is LFUHOQWCWQVAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-6(2)3-7(10(16)17)13(8(14)4-11)9(15)5-12/h6-7H,3-5,11-12H2,1-2H3,(H,16,17).
What are the key properties of 2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid?
2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-aminoacetyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 90189361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).