2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid

C12H24N2O3 — CID 82011908

IUPAC2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCC(C)CN
InChIInChI=1S/C12H24N2O3/c1-4-10(3)14(8-12(16)17)11(15)6-5-9(2)7-13/h9-10H,4-8,13H2,1-3H3,(H,16,17)
InChIKeyDRJBWUTZZUVOQU-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.07
Rot. Bonds8

About 2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid

2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid (PubChem CID 82011908) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid
PubChem CID82011908
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCC(C)CN
InChIInChI=1S/C12H24N2O3/c1-4-10(3)14(8-12(16)17)11(15)6-5-9(2)7-13/h9-10H,4-8,13H2,1-3H3,(H,16,17)
InChIKeyDRJBWUTZZUVOQU-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid
CID 82011216
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
methyl 2-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]acetate
CID 82011060
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid
CID 82011215
2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
CID 61161496
2-[butan-2-yl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid
CID 119954604
2-[butan-2-yl(3-cyclopentylpropanoyl)amino]acetic acid
CID 60828220
5-amino-N-ethyl-N-(2-ethylbutyl)-4-methylpentanamide
CID 82011557
2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid
CID 119955160
3-amino-N-butan-2-yl-N-ethylpropanamide
CID 43274458
2-[butan-2-yl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]acetic acid
CID 119954527

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid (CID 82011908) is 2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CCC(C)CN.
What is the InChIKey of 2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid?
The InChIKey is DRJBWUTZZUVOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-10(3)14(8-12(16)17)11(15)6-5-9(2)7-13/h9-10H,4-8,13H2,1-3H3,(H,16,17).
What are the key properties of 2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid?
2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid has a molecular weight of 244.33 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid is sourced from PubChem (CID 82011908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).