2-amino-4-pentylidenepentanedioic acid

C10H17NO4 — CID 54315107

IUPAC2-amino-4-pentylidenepentanedioic acid
SMILESCCCCC=C(CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-3-4-5-7(9(12)13)6-8(11)10(14)15/h5,8H,2-4,6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeySNPRXXDJCSRVQY-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.99
Rot. Bonds7

About 2-amino-4-pentylidenepentanedioic acid

2-amino-4-pentylidenepentanedioic acid (PubChem CID 54315107) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-4-pentylidenepentanedioic acid.

Molecular Properties

Compound Name2-amino-4-pentylidenepentanedioic acid
PubChem CID54315107
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-amino-4-pentylidenepentanedioic acid
SMILESCCCCC=C(CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C10H17NO4/c1-2-3-4-5-7(9(12)13)6-8(11)10(14)15/h5,8H,2-4,6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeySNPRXXDJCSRVQY-UHFFFAOYSA-N
XLogP0.99
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxypropyl)hept-2-enoic acid
CID 87793618
(4Z)-2-amino-4-ethylidenepentanedioic acid
CID 57449464
2-amino-4-ethylidenepentanedioic acid
CID 73192539
(4Z)-2-amino-4-(4,4-diphenylbutylidene)pentanedioic acid
CID 67611108
(4E)-2-amino-4-(4,4-diphenylbutylidene)pentanedioic acid
CID 19606598
2-(chloromethyl)hept-2-enoic acid
CID 57071249
2-amino-3-sulfanylpropanoic acid;hexane
CID 175251552
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octylundec-2-enoic acid
CID 87266721
(2S)-2-aminobutanedioic acid;dodecanoic acid
CID 131742199
(2S)-2-aminobutanedioic acid;bis(hexan-1-ol)
CID 87354643

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-pentylidenepentanedioic acid?
The IUPAC name of 2-amino-4-pentylidenepentanedioic acid (CID 54315107) is 2-amino-4-pentylidenepentanedioic acid.
What is the SMILES notation for 2-amino-4-pentylidenepentanedioic acid?
The canonical SMILES for 2-amino-4-pentylidenepentanedioic acid is CCCCC=C(CC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-4-pentylidenepentanedioic acid?
The InChIKey is SNPRXXDJCSRVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-3-4-5-7(9(12)13)6-8(11)10(14)15/h5,8H,2-4,6,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-4-pentylidenepentanedioic acid?
2-amino-4-pentylidenepentanedioic acid has a molecular weight of 215.25 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-pentylidenepentanedioic acid is sourced from PubChem (CID 54315107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).