(2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid

C13H25N3O3 — CID 88652599

IUPAC(2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid
SMILESC=C(CC(C)N)CC(C)NC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-8(6-9(2)14)7-10(3)16-12(17)5-4-11(15)13(18)19/h9-11H,1,4-7,14-15H2,2-3H3,(H,16,17)(H,18,19)/t9?,10?,11-/m1/s1
InChIKeyFIDJQQOETCUAQB-VQXHTEKXSA-N
MW271.36 g/mol
LogP0.37
Rot. Bonds9

About (2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid

(2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 88652599) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid
PubChem CID88652599
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid
SMILESC=C(CC(C)N)CC(C)NC(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-8(6-9(2)14)7-10(3)16-12(17)5-4-11(15)13(18)19/h9-11H,1,4-7,14-15H2,2-3H3,(H,16,17)(H,18,19)/t9?,10?,11-/m1/s1
InChIKeyFIDJQQOETCUAQB-VQXHTEKXSA-N
XLogP0.37
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid (CID 88652599) is (2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid is C=C(CC(C)N)CC(C)NC(=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is FIDJQQOETCUAQB-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-8(6-9(2)14)7-10(3)16-12(17)5-4-11(15)13(18)19/h9-11H,1,4-7,14-15H2,2-3H3,(H,16,17)(H,18,19)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid?
(2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.37, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-[(6-amino-4-methylideneheptan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 88652599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).