(2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid

C13H26N4O4 — CID 106039241

IUPAC(2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid
SMILESCC(C)N(C)CCCNC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H26N4O4/c1-9(2)17(3)8-4-7-15-13(21)16-10(12(19)20)5-6-11(14)18/h9-10H,4-8H2,1-3H3,(H2,14,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1
InChIKeyNKWOQZNXBFJTJD-SNVBAGLBSA-N
MW302.38 g/mol
LogP-0.27
Rot. Bonds10

About (2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 106039241) has the molecular formula C13H26N4O4 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid
PubChem CID106039241
Molecular FormulaC13H26N4O4
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name(2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid
SMILESCC(C)N(C)CCCNC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H26N4O4/c1-9(2)17(3)8-4-7-15-13(21)16-10(12(19)20)5-6-11(14)18/h9-10H,4-8H2,1-3H3,(H2,14,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1
InChIKeyNKWOQZNXBFJTJD-SNVBAGLBSA-N
XLogP-0.27
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 114139590
(2R)-5-amino-2-[3-(diethylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107830495
(2R)-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 106039191
(2R)-5-amino-2-(5-methylhexylcarbamoylamino)-5-oxopentanoic acid
CID 107831034
4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid
CID 103995873
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
(2S)-4-hydroxy-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
CID 107827554
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2R)-5-amino-2-(hexylcarbamoylamino)-5-oxopentanoic acid
CID 107830921
5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
CID 82943639
(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid
CID 114006057
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid (CID 106039241) is (2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid is CC(C)N(C)CCCNC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is NKWOQZNXBFJTJD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H26N4O4/c1-9(2)17(3)8-4-7-15-13(21)16-10(12(19)20)5-6-11(14)18/h9-10H,4-8H2,1-3H3,(H2,14,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1.
What are the key properties of (2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 302.38 g/mol, XLogP of -0.27, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 106039241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).