3-[2-methylpropyl(pentanoyl)amino]propanoic acid

C12H23NO3 — CID 82323488

IUPAC3-[2-methylpropyl(pentanoyl)amino]propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)CC(C)C
InChIInChI=1S/C12H23NO3/c1-4-5-6-11(14)13(9-10(2)3)8-7-12(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyMIJFMDPQWBCRNN-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.14
Rot. Bonds8

About 3-[2-methylpropyl(pentanoyl)amino]propanoic acid

3-[2-methylpropyl(pentanoyl)amino]propanoic acid (PubChem CID 82323488) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[2-methylpropyl(pentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl(pentanoyl)amino]propanoic acid
PubChem CID82323488
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[2-methylpropyl(pentanoyl)amino]propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)CC(C)C
InChIInChI=1S/C12H23NO3/c1-4-5-6-11(14)13(9-10(2)3)8-7-12(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyMIJFMDPQWBCRNN-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
3-[4-(diethylamino)butyl-pentanoylamino]propanoic acid
CID 82323531
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
3-[4-(4-fluorophenoxy)butanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190522
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
3-[decanoyl(2-oxoundecyl)amino]propanoic acid
CID 139936744
3-[2-carboxyethyl-[2-[2-carboxyethyl(decanoyl)amino]ethyl]amino]propanoic acid
CID 19347829
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323339

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(pentanoyl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl(pentanoyl)amino]propanoic acid (CID 82323488) is 3-[2-methylpropyl(pentanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl(pentanoyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl(pentanoyl)amino]propanoic acid is CCCCC(=O)N(CCC(=O)O)CC(C)C.
What is the InChIKey of 3-[2-methylpropyl(pentanoyl)amino]propanoic acid?
The InChIKey is MIJFMDPQWBCRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-5-6-11(14)13(9-10(2)3)8-7-12(15)16/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[2-methylpropyl(pentanoyl)amino]propanoic acid?
3-[2-methylpropyl(pentanoyl)amino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(pentanoyl)amino]propanoic acid is sourced from PubChem (CID 82323488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).