2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid

C10H18N2O3 — CID 123410032

IUPAC2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid
SMILESCC=C(C)C(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-3-7(2)9(13)12-6-4-5-8(11)10(14)15/h3,8H,4-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLZCNXHTZOVDORV-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.26
Rot. Bonds6

About 2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid

2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid (PubChem CID 123410032) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid
PubChem CID123410032
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid
SMILESCC=C(C)C(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-3-7(2)9(13)12-6-4-5-8(11)10(14)15/h3,8H,4-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLZCNXHTZOVDORV-UHFFFAOYSA-N
XLogP0.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.26
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid?
The IUPAC name of 2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid (CID 123410032) is 2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid.
What is the SMILES notation for 2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid?
The canonical SMILES for 2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid is CC=C(C)C(=O)NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid?
The InChIKey is LZCNXHTZOVDORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-7(2)9(13)12-6-4-5-8(11)10(14)15/h3,8H,4-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid?
2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methylbut-2-enoylamino)pentanoic acid is sourced from PubChem (CID 123410032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).