1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid

C12H24N2O4 — CID 174561878

IUPAC1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid
SMILESCCC(C)C(N)C(=O)O.NC1(C(=O)O)CCCC1
InChIInChI=1S/C6H11NO2.C6H13NO2/c7-6(5(8)9)3-1-2-4-6;1-3-4(2)5(7)6(8)9/h1-4,7H2,(H,8,9);4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyMJINFVLKRUQAPJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.79
Rot. Bonds4

About 1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid

1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid (PubChem CID 174561878) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid.

Molecular Properties

Compound Name1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid
PubChem CID174561878
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid
SMILESCCC(C)C(N)C(=O)O.NC1(C(=O)O)CCCC1
InChIInChI=1S/C6H11NO2.C6H13NO2/c7-6(5(8)9)3-1-2-4-6;1-3-4(2)5(7)6(8)9/h1-4,7H2,(H,8,9);4-5H,3,7H2,1-2H3,(H,8,9)
InChIKeyMJINFVLKRUQAPJ-UHFFFAOYSA-N
XLogP0.79
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid?
The IUPAC name of 1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid (CID 174561878) is 1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid.
What is the SMILES notation for 1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid?
The canonical SMILES for 1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid is CCC(C)C(N)C(=O)O.NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid?
The InChIKey is MJINFVLKRUQAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C6H13NO2/c7-6(5(8)9)3-1-2-4-6;1-3-4(2)5(7)6(8)9/h1-4,7H2,(H,8,9);4-5H,3,7H2,1-2H3,(H,8,9).
What are the key properties of 1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid?
1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid is sourced from PubChem (CID 174561878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).