4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid

C14H29N3O3 — CID 103995873

IUPAC4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NCCCN(C)C(C)C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-10(2)9-12(13(18)19)16-14(20)15-7-6-8-17(5)11(3)4/h10-12H,6-9H2,1-5H3,(H,18,19)(H2,15,16,20)
InChIKeyOGMNRWYMFDXYKQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.52
Rot. Bonds9

About 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid

4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid (PubChem CID 103995873) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid
PubChem CID103995873
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NCCCN(C)C(C)C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-10(2)9-12(13(18)19)16-14(20)15-7-6-8-17(5)11(3)4/h10-12H,6-9H2,1-5H3,(H,18,19)(H2,15,16,20)
InChIKeyOGMNRWYMFDXYKQ-UHFFFAOYSA-N
XLogP1.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 106039191
(2S)-4-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 114139590
(2R)-5-amino-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]-5-oxopentanoic acid
CID 106039241
(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592
(2S)-2-(3-aminopropylcarbamoylamino)-4-methylpentanoic acid
CID 62273310
4-methyl-2-(5-methylhexylcarbamoylamino)pentanoic acid
CID 115326694
(2S)-4-hydroxy-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]butanoic acid
CID 107827554
2-(3-ethylsulfonylpropylcarbamoylamino)-4-methylpentanoic acid
CID 65093772
(2S)-2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-4-methylpentanoic acid
CID 62635321
4-methyl-2-(3-propan-2-yloxypropylcarbamoylamino)pentanoic acid
CID 5023520
(2S)-4-methyl-2-(4-propan-2-yloxybutylcarbamoylamino)pentanoic acid
CID 106004588
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid (CID 103995873) is 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid is CC(C)CC(NC(=O)NCCCN(C)C(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid?
The InChIKey is OGMNRWYMFDXYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-10(2)9-12(13(18)19)16-14(20)15-7-6-8-17(5)11(3)4/h10-12H,6-9H2,1-5H3,(H,18,19)(H2,15,16,20).
What are the key properties of 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid?
4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid has a molecular weight of 287.40 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 103995873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).