(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid

C13H25N3O4 — CID 107831034

IUPAC(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)CCCCNC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-9(2)5-3-4-8-15-13(20)16-10(12(18)19)6-7-11(14)17/h9-10H,3-8H2,1-2H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t10-/m1/s1
InChIKeyFUJSAKGCZSRNTJ-SNVBAGLBSA-N
MW287.36 g/mol
LogP0.83
Rot. Bonds10

About (2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 107831034) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
PubChem CID107831034
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(C)CCCCNC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-9(2)5-3-4-8-15-13(20)16-10(12(18)19)6-7-11(14)17/h9-10H,3-8H2,1-2H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t10-/m1/s1
InChIKeyFUJSAKGCZSRNTJ-SNVBAGLBSA-N
XLogP0.83
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2S)-5-amino-2-(6-methylheptan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61471308
4-methyl-2-(5-methylhexylcarbamoylamino)pentanoic acid
CID 115326694
(2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid
CID 106039241
5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
CID 103995632
2-[(5-amino-5-oxopentyl)carbamoylamino]hexanoic acid
CID 106239123
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
(2R)-5-methoxy-2-(4-methylpentylcarbamoylamino)-5-oxopentanoic acid
CID 107827677
5-amino-2-(3-ethylsulfanylpropylcarbamoylamino)-5-oxopentanoic acid
CID 114248323
5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
CID 82943639

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid (CID 107831034) is (2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid is CC(C)CCCCNC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is FUJSAKGCZSRNTJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-9(2)5-3-4-8-15-13(20)16-10(12(18)19)6-7-11(14)17/h9-10H,3-8H2,1-2H3,(H2,14,17)(H,18,19)(H2,15,16,20)/t10-/m1/s1.
What are the key properties of (2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.83, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107831034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).