3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid

C12H24N2O3 — CID 82011216

IUPAC3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid
SMILESCC(CN)CCC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-9(2)14(7-6-12(16)17)11(15)5-4-10(3)8-13/h9-10H,4-8,13H2,1-3H3,(H,16,17)
InChIKeyPITNFPGJZCFJAU-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.07
Rot. Bonds8

About 3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid

3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid (PubChem CID 82011216) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid
PubChem CID82011216
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid
SMILESCC(CN)CCC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-9(2)14(7-6-12(16)17)11(15)5-4-10(3)8-13/h9-10H,4-8,13H2,1-3H3,(H,16,17)
InChIKeyPITNFPGJZCFJAU-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

methyl 2-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]acetate
CID 82011060
2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid
CID 82011908
3-[3-acetamidopropanoyl(propan-2-yl)amino]propanoic acid
CID 60832281
3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid
CID 61276954
3-[3-ethylpentanoyl(propan-2-yl)amino]propanoic acid
CID 120520184
3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82687956
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 54994879
3-[6-acetamidohexanoyl(propan-2-yl)amino]propanoic acid
CID 60831935
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
CID 82689538
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
CID 82683387
3-[4-phenylbutanoyl(propan-2-yl)amino]propanoic acid
CID 60830563
3-amino-N-propan-2-yl-N-propylpropanamide
CID 43269470

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid (CID 82011216) is 3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid is CC(CN)CCC(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid?
The InChIKey is PITNFPGJZCFJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)14(7-6-12(16)17)11(15)5-4-10(3)8-13/h9-10H,4-8,13H2,1-3H3,(H,16,17).
What are the key properties of 3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid?
3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic 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 3-[(5-amino-4-methylpentanoyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 82011216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).